N,N-bis(4-aminocyclohexyl)methanimidamide

C13H26N4 — CID 154037827

IUPACN,N-bis(4-aminocyclohexyl)methanimidamide
SMILES[H]/N=C/N(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C13H26N4/c14-9-17(12-5-1-10(15)2-6-12)13-7-3-11(16)4-8-13/h9-14H,1-8,15-16H2/b14-9+
InChIKeyBRBCHJHDMNOPND-NTEUORMPSA-N
MW238.38 g/mol
LogP1.44
Rot. Bonds3

About N,N-bis(4-aminocyclohexyl)methanimidamide

N,N-bis(4-aminocyclohexyl)methanimidamide (PubChem CID 154037827) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N,N-bis(4-aminocyclohexyl)methanimidamide.

Molecular Properties

Compound NameN,N-bis(4-aminocyclohexyl)methanimidamide
PubChem CID154037827
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN,N-bis(4-aminocyclohexyl)methanimidamide
SMILES[H]/N=C/N(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C13H26N4/c14-9-17(12-5-1-10(15)2-6-12)13-7-3-11(16)4-8-13/h9-14H,1-8,15-16H2/b14-9+
InChIKeyBRBCHJHDMNOPND-NTEUORMPSA-N
XLogP1.44
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine
CID 146391384
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686
4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
CID 175142686
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
(1,2,3-13C3)cyclopropanamine
CID 76972988
N-(3-aminocyclobutyl)-N-cyclopropylformamide;hydrochloride
CID 141463915
4-diazenylcyclohexan-1-amine
CID 153231015
4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine
CID 160976846
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
2-[(4-aminocyclohexyl)-cyclopropylamino]ethanol
CID 79467685

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-aminocyclohexyl)methanimidamide?
The IUPAC name of N,N-bis(4-aminocyclohexyl)methanimidamide (CID 154037827) is N,N-bis(4-aminocyclohexyl)methanimidamide.
What is the SMILES notation for N,N-bis(4-aminocyclohexyl)methanimidamide?
The canonical SMILES for N,N-bis(4-aminocyclohexyl)methanimidamide is [H]/N=C/N(C1CCC(N)CC1)C1CCC(N)CC1.
What is the InChIKey of N,N-bis(4-aminocyclohexyl)methanimidamide?
The InChIKey is BRBCHJHDMNOPND-NTEUORMPSA-N. The full InChI is InChI=1S/C13H26N4/c14-9-17(12-5-1-10(15)2-6-12)13-7-3-11(16)4-8-13/h9-14H,1-8,15-16H2/b14-9+.
What are the key properties of N,N-bis(4-aminocyclohexyl)methanimidamide?
N,N-bis(4-aminocyclohexyl)methanimidamide has a molecular weight of 238.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-aminocyclohexyl)methanimidamide is sourced from PubChem (CID 154037827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).