2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine

C18H38N2 — CID 43269481

IUPAC2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
SMILESCCCN(C(C)C)C1CCCCCCCCCCC1N
InChIInChI=1S/C18H38N2/c1-4-15-20(16(2)3)18-14-12-10-8-6-5-7-9-11-13-17(18)19/h16-18H,4-15,19H2,1-3H3
InChIKeyZSKNSLFIHBCLSR-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.72
Rot. Bonds4

About 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine

2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine (PubChem CID 43269481) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
PubChem CID43269481
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
SMILESCCCN(C(C)C)C1CCCCCCCCCCC1N
InChIInChI=1S/C18H38N2/c1-4-15-20(16(2)3)18-14-12-10-8-6-5-7-9-11-13-17(18)19/h16-18H,4-15,19H2,1-3H3
InChIKeyZSKNSLFIHBCLSR-UHFFFAOYSA-N
XLogP4.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
CID 43269484
2-N-butan-2-yl-2-N-ethylcyclohexane-1,2-diamine
CID 43274468
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189
2-N-propan-2-yl-2-N,4-dipropylcyclohexane-1,2-diamine
CID 54932445
2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
2-N-(2-methoxyethyl)-2-N-pentan-3-ylcyclooctane-1,2-diamine
CID 55004362
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 79828904
2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 63068946
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
CID 43273695

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine?
The IUPAC name of 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine (CID 43269481) is 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine.
What is the SMILES notation for 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine?
The canonical SMILES for 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine is CCCN(C(C)C)C1CCCCCCCCCCC1N.
What is the InChIKey of 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine?
The InChIKey is ZSKNSLFIHBCLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-15-20(16(2)3)18-14-12-10-8-6-5-7-9-11-13-17(18)19/h16-18H,4-15,19H2,1-3H3.
What are the key properties of 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine?
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine is sourced from PubChem (CID 43269481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).