2-butyl-2-propylpentane-1,5-diamine

C12H28N2 — CID 71310126

IUPAC2-butyl-2-propylpentane-1,5-diamine
SMILESCCCCC(CN)(CCC)CCCN
InChIInChI=1S/C12H28N2/c1-3-5-8-12(11-14,7-4-2)9-6-10-13/h3-11,13-14H2,1-2H3
InChIKeyBXMWEEXOPKKGSH-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.66
Rot. Bonds9

About 2-butyl-2-propylpentane-1,5-diamine

2-butyl-2-propylpentane-1,5-diamine (PubChem CID 71310126) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-butyl-2-propylpentane-1,5-diamine.

Molecular Properties

Compound Name2-butyl-2-propylpentane-1,5-diamine
PubChem CID71310126
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-butyl-2-propylpentane-1,5-diamine
SMILESCCCCC(CN)(CCC)CCCN
InChIInChI=1S/C12H28N2/c1-3-5-8-12(11-14,7-4-2)9-6-10-13/h3-11,13-14H2,1-2H3
InChIKeyBXMWEEXOPKKGSH-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-2-ethylhexan-1-amine
CID 62725100
4,4-dipentylnonan-1-amine
CID 88632324
2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2-butyl-2-ethyldodecan-1-amine
CID 55195465
3-(aminomethyl)-3-propylhexan-1-ol
CID 66092129
4,4-diethyloctane;ethane
CID 177031380
2-(methoxymethyl)-2-propyldecan-1-amine
CID 139968844
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
2,2-bis(prop-2-enyl)hexan-1-amine
CID 175019785
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
4,4,9,9-tetrapropyldodecane
CID 140610407

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-propylpentane-1,5-diamine?
The IUPAC name of 2-butyl-2-propylpentane-1,5-diamine (CID 71310126) is 2-butyl-2-propylpentane-1,5-diamine.
What is the SMILES notation for 2-butyl-2-propylpentane-1,5-diamine?
The canonical SMILES for 2-butyl-2-propylpentane-1,5-diamine is CCCCC(CN)(CCC)CCCN.
What is the InChIKey of 2-butyl-2-propylpentane-1,5-diamine?
The InChIKey is BXMWEEXOPKKGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-3-5-8-12(11-14,7-4-2)9-6-10-13/h3-11,13-14H2,1-2H3.
What are the key properties of 2-butyl-2-propylpentane-1,5-diamine?
2-butyl-2-propylpentane-1,5-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-propylpentane-1,5-diamine is sourced from PubChem (CID 71310126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).