N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine

C13H28N2 — CID 62974974

IUPACN'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
SMILESCCCC(CCC)NCCN(C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-6-12(7-5-2)14-10-11-15(3)13-8-9-13/h12-14H,4-11H2,1-3H3
InChIKeyLQJCJSAGRRSVNU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds9

About N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine (PubChem CID 62974974) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
PubChem CID62974974
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
SMILESCCCC(CCC)NCCN(C)C1CC1
InChIInChI=1S/C13H28N2/c1-4-6-12(7-5-2)14-10-11-15(3)13-8-9-13/h12-14H,4-11H2,1-3H3
InChIKeyLQJCJSAGRRSVNU-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 55205255
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 62976128
N'-ethyl-N-heptan-4-yl-N'-methylethane-1,2-diamine
CID 62636047
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide
CID 55140066
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N,N-dimethylpropanamide
CID 62977771
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
CID 79008013

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine (CID 62974974) is N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine is CCCC(CCC)NCCN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
The InChIKey is LQJCJSAGRRSVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-6-12(7-5-2)14-10-11-15(3)13-8-9-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-heptan-4-yl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62974974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).