N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride

C15H23ClN6O — CID 172751827

IUPACN-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(/N=C(\N)N=C(N)N2CCCCC2)c1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-11(22)18-12-6-5-7-13(10-12)19-14(16)20-15(17)21-8-3-2-4-9-21;/h5-7,10H,2-4,8-9H2,1H3,(H,18,22)(H4,16,17,19,20);1H
InChIKeyKMBADQSSJSMGAQ-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.81
Rot. Bonds2

About N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride

N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride (PubChem CID 172751827) has the molecular formula C15H23ClN6O and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride
PubChem CID172751827
Molecular FormulaC15H23ClN6O
Molecular Weight338.84 g/mol
Exact Mass338.16
IUPAC NameN-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(/N=C(\N)N=C(N)N2CCCCC2)c1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-11(22)18-12-6-5-7-13(10-12)19-14(16)20-15(17)21-8-3-2-4-9-21;/h5-7,10H,2-4,8-9H2,1H3,(H,18,22)(H4,16,17,19,20);1H
InChIKeyKMBADQSSJSMGAQ-UHFFFAOYSA-N
XLogP1.81
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[amino-[(E)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide
CID 71512309
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]butanamide
CID 19599246
N'-[N'-[3-(hydroxymethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172853409
N-[3-(diaminomethylideneamino)phenyl]acetamide;hydrochloride
CID 91619584
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 156631545
N'-[N'-[3-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide;hydrochloride
CID 172828470
benzyl N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]phenyl]carbamate;oxalic acid
CID 19599277
N'-[N'-(3,5-dichlorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 172705203

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride (CID 172751827) is N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride is CC(=O)Nc1cccc(/N=C(\N)N=C(N)N2CCCCC2)c1.Cl.
What is the InChIKey of N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride?
The InChIKey is KMBADQSSJSMGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.ClH/c1-11(22)18-12-6-5-7-13(10-12)19-14(16)20-15(17)21-8-3-2-4-9-21;/h5-7,10H,2-4,8-9H2,1H3,(H,18,22)(H4,16,17,19,20);1H.
What are the key properties of N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride?
N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 172751827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).