2-propan-2-ylbutane-1,4-diamine

C7H18N2 — CID 55281823

IUPAC2-propan-2-ylbutane-1,4-diamine
SMILESCC(C)C(CN)CCN
InChIInChI=1S/C7H18N2/c1-6(2)7(5-9)3-4-8/h6-7H,3-5,8-9H2,1-2H3
InChIKeyMKILERJRIWILOO-UHFFFAOYSA-N
MW130.24 g/mol
LogP0.57
Rot. Bonds4

About 2-propan-2-ylbutane-1,4-diamine

2-propan-2-ylbutane-1,4-diamine (PubChem CID 55281823) has the molecular formula C7H18N2 and a molecular weight of 130.24 g/mol. Its IUPAC name is 2-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound Name2-propan-2-ylbutane-1,4-diamine
PubChem CID55281823
Molecular FormulaC7H18N2
Molecular Weight130.24 g/mol
Exact Mass130.15
IUPAC Name2-propan-2-ylbutane-1,4-diamine
SMILESCC(C)C(CN)CCN
InChIInChI=1S/C7H18N2/c1-6(2)7(5-9)3-4-8/h6-7H,3-5,8-9H2,1-2H3
InChIKeyMKILERJRIWILOO-UHFFFAOYSA-N
XLogP0.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbutane-1,4-diamine?
The IUPAC name of 2-propan-2-ylbutane-1,4-diamine (CID 55281823) is 2-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for 2-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for 2-propan-2-ylbutane-1,4-diamine is CC(C)C(CN)CCN.
What is the InChIKey of 2-propan-2-ylbutane-1,4-diamine?
The InChIKey is MKILERJRIWILOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-6(2)7(5-9)3-4-8/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 2-propan-2-ylbutane-1,4-diamine?
2-propan-2-ylbutane-1,4-diamine has a molecular weight of 130.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 55281823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).