N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide

C10H21N3O — CID 79459016

IUPACN-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCCC(N)C1
InChIInChI=1S/C10H21N3O/c1-8(14)12-5-6-13-10-4-2-3-9(11)7-10/h9-10,13H,2-7,11H2,1H3,(H,12,14)
InChIKeyPZSUYMRDAOCMAG-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.02
Rot. Bonds4

About N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide

N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide (PubChem CID 79459016) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide
PubChem CID79459016
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCCC(N)C1
InChIInChI=1S/C10H21N3O/c1-8(14)12-5-6-13-10-4-2-3-9(11)7-10/h9-10,13H,2-7,11H2,1H3,(H,12,14)
InChIKeyPZSUYMRDAOCMAG-UHFFFAOYSA-N
XLogP-0.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
methyl 3-[(3-aminocyclohexyl)amino]propanoate
CID 79458540
2-[(3-aminocyclohexyl)amino]ethanol
CID 79459217
1-N-propylcyclohexane-1,3-diamine
CID 22026573
2-[(3-aminocyclohexyl)amino]ethyl carbamate
CID 83202906
3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
CID 113409721
1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine
CID 79459348
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
N-[2-[(3-hydroxycyclobutyl)amino]ethyl]acetamide
CID 107529605
N-[2-(azepan-4-ylamino)ethyl]acetamide
CID 103980758
6-[(3-aminocyclohexyl)amino]hexan-1-ol
CID 107848750
5-[(3-aminocyclohexyl)amino]pentan-1-ol
CID 107316668

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide (CID 79459016) is N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide is CC(=O)NCCNC1CCCC(N)C1.
What is the InChIKey of N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide?
The InChIKey is PZSUYMRDAOCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(14)12-5-6-13-10-4-2-3-9(11)7-10/h9-10,13H,2-7,11H2,1H3,(H,12,14).
What are the key properties of N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide?
N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide has a molecular weight of 199.30 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-aminocyclohexyl)amino]ethyl]acetamide is sourced from PubChem (CID 79459016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).