2-butylpropane-1,3-diamine;ethane

C9H24N2 — CID 142824010

IUPAC2-butylpropane-1,3-diamine;ethane
SMILESCC.CCCCC(CN)CN
InChIInChI=1S/C7H18N2.C2H6/c1-2-3-4-7(5-8)6-9;1-2/h7H,2-6,8-9H2,1H3;1-2H3
InChIKeyMHGGQMFPVKLVJC-UHFFFAOYSA-N
MW160.31 g/mol
LogP1.74
Rot. Bonds5

About 2-butylpropane-1,3-diamine;ethane

2-butylpropane-1,3-diamine;ethane (PubChem CID 142824010) has the molecular formula C9H24N2 and a molecular weight of 160.31 g/mol. Its IUPAC name is 2-butylpropane-1,3-diamine;ethane.

Molecular Properties

Compound Name2-butylpropane-1,3-diamine;ethane
PubChem CID142824010
Molecular FormulaC9H24N2
Molecular Weight160.31 g/mol
Exact Mass160.19
IUPAC Name2-butylpropane-1,3-diamine;ethane
SMILESCC.CCCCC(CN)CN
InChIInChI=1S/C7H18N2.C2H6/c1-2-3-4-7(5-8)6-9;1-2/h7H,2-6,8-9H2,1H3;1-2H3
InChIKeyMHGGQMFPVKLVJC-UHFFFAOYSA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylhexan-1-amine
CID 54041151
(2S)-2-ethylhexan-1-amine
CID 6999997
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
(2S)-2-hexyldecan-1-amine
CID 129368307
2-dodecylhexadecan-1-amine
CID 23048605
2-hexyloctadecan-1-amine
CID 87546751
2-(aminomethyl)hexane-1-thiol;hydrochloride
CID 155665109
2-propylheptan-1-amine
CID 21267775
2-butylhex-4-en-1-amine
CID 91034003
2-(fluoromethyl)henicosan-1-amine
CID 175054402
2-(2-methylpropyl)heptan-1-amine
CID 62505521

Frequently Asked Questions

What is the IUPAC name of 2-butylpropane-1,3-diamine;ethane?
The IUPAC name of 2-butylpropane-1,3-diamine;ethane (CID 142824010) is 2-butylpropane-1,3-diamine;ethane.
What is the SMILES notation for 2-butylpropane-1,3-diamine;ethane?
The canonical SMILES for 2-butylpropane-1,3-diamine;ethane is CC.CCCCC(CN)CN.
What is the InChIKey of 2-butylpropane-1,3-diamine;ethane?
The InChIKey is MHGGQMFPVKLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.C2H6/c1-2-3-4-7(5-8)6-9;1-2/h7H,2-6,8-9H2,1H3;1-2H3.
What are the key properties of 2-butylpropane-1,3-diamine;ethane?
2-butylpropane-1,3-diamine;ethane has a molecular weight of 160.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpropane-1,3-diamine;ethane is sourced from PubChem (CID 142824010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).