2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine

C18H39N3 — CID 102992452

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(CC)CCCN(C)C
InChIInChI=1S/C18H39N3/c1-5-14-19-17-12-9-7-8-10-13-18(17)21(6-2)16-11-15-20(3)4/h17-19H,5-16H2,1-4H3
InChIKeyKRXZOSUNJFXOEM-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.35
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine

2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine (PubChem CID 102992452) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
PubChem CID102992452
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(CC)CCCN(C)C
InChIInChI=1S/C18H39N3/c1-5-14-19-17-12-9-7-8-10-13-18(17)21(6-2)16-11-15-20(3)4/h17-19H,5-16H2,1-4H3
InChIKeyKRXZOSUNJFXOEM-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
1-N-[3-(dimethylamino)propyl]-1-N-methyl-2-N-propylcyclopentane-1,2-diamine
CID 63695200
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 55228107
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 107397961
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 102999190
2-N-butyl-2-N-ethyl-4-methyl-1-N-propylcyclohexane-1,2-diamine
CID 63466576
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63694161
1-N-butyl-1-N-cyclopropyl-2-N-propylcycloheptane-1,2-diamine
CID 63467595
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine (CID 102992452) is 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine is CCCNC1CCCCCCC1N(CC)CCCN(C)C.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine?
The InChIKey is KRXZOSUNJFXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-5-14-19-17-12-9-7-8-10-13-18(17)21(6-2)16-11-15-20(3)4/h17-19H,5-16H2,1-4H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine is sourced from PubChem (CID 102992452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).