N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide

C14H28N4O — CID 111095564

IUPACN-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
SMILESCC(C)N/C(N)=N/CCNC(=O)CC1CCCCC1
InChIInChI=1S/C14H28N4O/c1-11(2)18-14(15)17-9-8-16-13(19)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,16,19)(H3,15,17,18)
InChIKeyFVDZAWDORROKEV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.39
Rot. Bonds6

About N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide

N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide (PubChem CID 111095564) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
PubChem CID111095564
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
SMILESCC(C)N/C(N)=N/CCNC(=O)CC1CCCCC1
InChIInChI=1S/C14H28N4O/c1-11(2)18-14(15)17-9-8-16-13(19)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,16,19)(H3,15,17,18)
InChIKeyFVDZAWDORROKEV-UHFFFAOYSA-N
XLogP1.39
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111094891
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111095546
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
N-[2-[[amino-(3-propan-2-ylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095582
2-cyclohexyl-N-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]acetamide
CID 111127424
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095574
N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
CID 104928892
N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
CID 76948274
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide (CID 111095564) is N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide is CC(C)N/C(N)=N/CCNC(=O)CC1CCCCC1.
What is the InChIKey of N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The InChIKey is FVDZAWDORROKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)18-14(15)17-9-8-16-13(19)10-12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,16,19)(H3,15,17,18).
What are the key properties of N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 111095564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).