1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine

C19H40N2 — CID 63466736

IUPAC1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine
SMILESCCCN(CCC)C1CCCCCCCCCCC1NC
InChIInChI=1S/C19H40N2/c1-4-16-21(17-5-2)19-15-13-11-9-7-6-8-10-12-14-18(19)20-3/h18-20H,4-17H2,1-3H3
InChIKeyCUKFGQYTFLZLFO-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.98
Rot. Bonds6

About 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine

1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine (PubChem CID 63466736) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine
PubChem CID63466736
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine
SMILESCCCN(CCC)C1CCCCCCCCCCC1NC
InChIInChI=1S/C19H40N2/c1-4-16-21(17-5-2)19-15-13-11-9-7-6-8-10-12-14-18(19)20-3/h18-20H,4-17H2,1-3H3
InChIKeyCUKFGQYTFLZLFO-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N-propylcyclooctane-1,2-diamine
CID 55194190
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987
N,N-dipropylcyclodecanamine
CID 139723962
1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828938
2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 63469418
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62615779

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine (CID 63466736) is 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine is CCCN(CCC)C1CCCCCCCCCCC1NC.
What is the InChIKey of 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine?
The InChIKey is CUKFGQYTFLZLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-4-16-21(17-5-2)19-15-13-11-9-7-6-8-10-12-14-18(19)20-3/h18-20H,4-17H2,1-3H3.
What are the key properties of 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine?
1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine has a molecular weight of 296.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine is sourced from PubChem (CID 63466736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).