1-N-butan-2-ylbutane-1,2-diamine

C8H20N2 — CID 61150204

IUPAC1-N-butan-2-ylbutane-1,2-diamine
SMILESCCC(N)CNC(C)CC
InChIInChI=1S/C8H20N2/c1-4-7(3)10-6-8(9)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyMWHIZFGTGVPHTN-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds5

About 1-N-butan-2-ylbutane-1,2-diamine

1-N-butan-2-ylbutane-1,2-diamine (PubChem CID 61150204) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N-butan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-ylbutane-1,2-diamine
PubChem CID61150204
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N-butan-2-ylbutane-1,2-diamine
SMILESCCC(N)CNC(C)CC
InChIInChI=1S/C8H20N2/c1-4-7(3)10-6-8(9)5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyMWHIZFGTGVPHTN-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoropropyl)butan-2-amine
CID 163635635
1-N-butan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568833
1-N-[(1S)-1-phenylethyl]butane-1,2-diamine
CID 91219857
(2S)-3-(butan-2-ylamino)propane-1,2-diol
CID 61149708
N-(2-propan-2-yloxypropyl)butan-2-amine
CID 62567669
1-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1,2-diamine
CID 91565963
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
CID 172753617
CID 172753617
1-N-hexan-2-yl-4-methylpentane-1,2-diamine
CID 62200998
3,4-diamino-1-(butan-2-ylamino)butan-2-one
CID 163702186
pentan-3-amine;hydroiodide
CID 173436389

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-ylbutane-1,2-diamine?
The IUPAC name of 1-N-butan-2-ylbutane-1,2-diamine (CID 61150204) is 1-N-butan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-ylbutane-1,2-diamine is CCC(N)CNC(C)CC.
What is the InChIKey of 1-N-butan-2-ylbutane-1,2-diamine?
The InChIKey is MWHIZFGTGVPHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-7(3)10-6-8(9)5-2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-N-butan-2-ylbutane-1,2-diamine?
1-N-butan-2-ylbutane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 61150204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).