N-cyclohexyl-1-methoxypropane-1,3-diamine

C10H22N2O — CID 57238021

IUPACN-cyclohexyl-1-methoxypropane-1,3-diamine
SMILESCOC(CCN)NC1CCCCC1
InChIInChI=1S/C10H22N2O/c1-13-10(7-8-11)12-9-5-3-2-4-6-9/h9-10,12H,2-8,11H2,1H3
InChIKeyMBSRDPNQAKIAQW-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.23
Rot. Bonds5

About N-cyclohexyl-1-methoxypropane-1,3-diamine

N-cyclohexyl-1-methoxypropane-1,3-diamine (PubChem CID 57238021) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-cyclohexyl-1-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-methoxypropane-1,3-diamine
PubChem CID57238021
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-cyclohexyl-1-methoxypropane-1,3-diamine
SMILESCOC(CCN)NC1CCCCC1
InChIInChI=1S/C10H22N2O/c1-13-10(7-8-11)12-9-5-3-2-4-6-9/h9-10,12H,2-8,11H2,1H3
InChIKeyMBSRDPNQAKIAQW-UHFFFAOYSA-N
XLogP1.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-cyclohexyl-1-methoxypropane-1,3-diamine 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

N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 3153472
N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
N-(3-methoxypropyl)cyclohexanamine hydrochloride
CID 138987566
Ethyl 3-(cyclohexylamino)propanimidate
CID 134890835
N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 61490968
(1R,2R)-2-fluoro-N-(3-methoxypropyl)cyclohexan-1-amine
CID 126847788
(1R,2R)-N-(3-ethoxypropyl)-2-fluorocyclohexan-1-amine
CID 126847793
N-(3-butoxypropyl)piperidin-4-amine
CID 20735437
O-[3-(hexan-2-ylamino)propyl]hydroxylamine
CID 23035671
N-(3-methoxypropyl)-N-methylpiperidin-4-amine
CID 25220735
1-(3-methoxypropyl)-N-methylpiperidin-4-amine
CID 43315589
N-(3-Methoxypropyl)piperidin-4-amine
CID 53415193

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methoxypropane-1,3-diamine?
The IUPAC name of N-cyclohexyl-1-methoxypropane-1,3-diamine (CID 57238021) is N-cyclohexyl-1-methoxypropane-1,3-diamine.
What is the SMILES notation for N-cyclohexyl-1-methoxypropane-1,3-diamine?
The canonical SMILES for N-cyclohexyl-1-methoxypropane-1,3-diamine is COC(CCN)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-methoxypropane-1,3-diamine?
The InChIKey is MBSRDPNQAKIAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-13-10(7-8-11)12-9-5-3-2-4-6-9/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-cyclohexyl-1-methoxypropane-1,3-diamine?
N-cyclohexyl-1-methoxypropane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methoxypropane-1,3-diamine is sourced from PubChem (CID 57238021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).