2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine

C17H34N2 — CID 55194190

IUPAC2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
SMILESCCCN(CC1CC1)C1CCCCCCC1NCC
InChIInChI=1S/C17H34N2/c1-3-13-19(14-15-11-12-15)17-10-8-6-5-7-9-16(17)18-4-2/h15-18H,3-14H2,1-2H3
InChIKeyGAPNSLKZGNUSNP-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine

2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine (PubChem CID 55194190) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
PubChem CID55194190
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
SMILESCCCN(CC1CC1)C1CCCCCCC1NCC
InChIInChI=1S/C17H34N2/c1-3-13-19(14-15-11-12-15)17-10-8-6-5-7-9-16(17)18-4-2/h15-18H,3-14H2,1-2H3
InChIKeyGAPNSLKZGNUSNP-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 107397961
1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine
CID 63466736
1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
CID 55192853
2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
CID 63468526
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
CID 63955959
2-[[cyclopropyl(propyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 62615562
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 134438411
6-[cyclopropylmethyl(propyl)amino]-2,2-dimethylcyclohexan-1-ol
CID 79836124
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63694161
2-[[cyclopentylmethyl(methyl)amino]methyl]-N-ethylcyclopentan-1-amine
CID 63631296
N-ethyl-N-[[2-(ethylamino)cyclopentyl]methyl]cyclohexanamine
CID 62614982

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine (CID 55194190) is 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine is CCCN(CC1CC1)C1CCCCCCC1NCC.
What is the InChIKey of 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine?
The InChIKey is GAPNSLKZGNUSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-13-19(14-15-11-12-15)17-10-8-6-5-7-9-16(17)18-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine?
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine is sourced from PubChem (CID 55194190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).