2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide

C14H26N4O — CID 122101737

IUPAC2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
SMILESNC(=O)CC1(C/N=C(\N)NC2CCCCCC2)CC1
InChIInChI=1S/C14H26N4O/c15-12(19)9-14(7-8-14)10-17-13(16)18-11-5-3-1-2-4-6-11/h11H,1-10H2,(H2,15,19)(H3,16,17,18)
InChIKeyMVAGVOZBWYEHPN-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide

2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide (PubChem CID 122101737) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
PubChem CID122101737
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
SMILESNC(=O)CC1(C/N=C(\N)NC2CCCCCC2)CC1
InChIInChI=1S/C14H26N4O/c15-12(19)9-14(7-8-14)10-17-13(16)18-11-5-3-1-2-4-6-11/h11H,1-10H2,(H2,15,19)(H3,16,17,18)
InChIKeyMVAGVOZBWYEHPN-UHFFFAOYSA-N
XLogP1.27
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.27
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'}

Analyze 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 119151899
2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine
CID 122099517
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
CID 103763188
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-[[[amino-(cyclopentylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 119147730
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973282
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide?
The IUPAC name of 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide (CID 122101737) is 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide.
What is the SMILES notation for 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide?
The canonical SMILES for 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide is NC(=O)CC1(C/N=C(\N)NC2CCCCCC2)CC1.
What is the InChIKey of 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide?
The InChIKey is MVAGVOZBWYEHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-12(19)9-14(7-8-14)10-17-13(16)18-11-5-3-1-2-4-6-11/h11H,1-10H2,(H2,15,19)(H3,16,17,18).
What are the key properties of 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide?
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide has a molecular weight of 266.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide is sourced from PubChem (CID 122101737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).