3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine

C14H30N2 — CID 135160947

IUPAC3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine
SMILESCCCCC1CC1C(C(C)N)C(C)CNC
InChIInChI=1S/C14H30N2/c1-5-6-7-12-8-13(12)14(11(3)15)10(2)9-16-4/h10-14,16H,5-9,15H2,1-4H3
InChIKeyRRCZMZXVKQNOOK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.63
Rot. Bonds8

About 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine

3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine (PubChem CID 135160947) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine
PubChem CID135160947
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine
SMILESCCCCC1CC1C(C(C)N)C(C)CNC
InChIInChI=1S/C14H30N2/c1-5-6-7-12-8-13(12)14(11(3)15)10(2)9-16-4/h10-14,16H,5-9,15H2,1-4H3
InChIKeyRRCZMZXVKQNOOK-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
5-(2-butan-2-ylcyclopropyl)-N-methylpentan-1-amine
CID 155441990
1-N,3-dimethylheptane-1,2-diamine
CID 89145874
[(1R,2S)-2-butylcyclopropyl]-trimethylsilylmethanol
CID 139829557
3-[2-[(2S)-pentan-2-yl]cyclopropyl]propan-1-amine
CID 139513518
N-methyl-2-[2-(3-methyloctan-2-yl)-4-pentylcyclobutyl]ethanamine
CID 138564256
1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane
CID 123616898
(2-octylcyclopropyl)methanediol
CID 165392128
1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane
CID 91373966
2-butyl-N-methylcyclopropan-1-amine;propan-1-ol
CID 89249229
1-(4-methylpentyl)-2-propan-2-ylcyclopropane
CID 90741297
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine?
The IUPAC name of 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine (CID 135160947) is 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine.
What is the SMILES notation for 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine?
The canonical SMILES for 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine is CCCCC1CC1C(C(C)N)C(C)CNC.
What is the InChIKey of 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine?
The InChIKey is RRCZMZXVKQNOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-7-12-8-13(12)14(11(3)15)10(2)9-16-4/h10-14,16H,5-9,15H2,1-4H3.
What are the key properties of 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine?
3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylcyclopropyl)-1-N,2-dimethylpentane-1,4-diamine is sourced from PubChem (CID 135160947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).