2-N-butan-2-yl-2-methylpentane-2,4-diamine

C10H24N2 — CID 12639048

IUPAC2-N-butan-2-yl-2-methylpentane-2,4-diamine
SMILESCCC(C)NC(C)(C)CC(C)N
InChIInChI=1S/C10H24N2/c1-6-9(3)12-10(4,5)7-8(2)11/h8-9,12H,6-7,11H2,1-5H3
InChIKeyRIHGEIMDTCIVNX-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.89
Rot. Bonds5

About 2-N-butan-2-yl-2-methylpentane-2,4-diamine

2-N-butan-2-yl-2-methylpentane-2,4-diamine (PubChem CID 12639048) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-methylpentane-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-methylpentane-2,4-diamine
PubChem CID12639048
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-N-butan-2-yl-2-methylpentane-2,4-diamine
SMILESCCC(C)NC(C)(C)CC(C)N
InChIInChI=1S/C10H24N2/c1-6-9(3)12-10(4,5)7-8(2)11/h8-9,12H,6-7,11H2,1-5H3
InChIKeyRIHGEIMDTCIVNX-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-methylpentane-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-2-methylpentane-2,4-diamine (CID 12639048) is 2-N-butan-2-yl-2-methylpentane-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-methylpentane-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-methylpentane-2,4-diamine is CCC(C)NC(C)(C)CC(C)N.
What is the InChIKey of 2-N-butan-2-yl-2-methylpentane-2,4-diamine?
The InChIKey is RIHGEIMDTCIVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-9(3)12-10(4,5)7-8(2)11/h8-9,12H,6-7,11H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-2-methylpentane-2,4-diamine?
2-N-butan-2-yl-2-methylpentane-2,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-methylpentane-2,4-diamine is sourced from PubChem (CID 12639048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).