4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine

C10H22N2 — CID 146237768

IUPAC4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine
SMILESCC(N)CC(CC1CN1)C(C)C
InChIInChI=1S/C10H22N2/c1-7(2)9(4-8(3)11)5-10-6-12-10/h7-10,12H,4-6,11H2,1-3H3
InChIKeyTZTOIEBRBUIOJQ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds5

About 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine

4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine (PubChem CID 146237768) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine.

Molecular Properties

Compound Name4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine
PubChem CID146237768
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine
SMILESCC(N)CC(CC1CN1)C(C)C
InChIInChI=1S/C10H22N2/c1-7(2)9(4-8(3)11)5-10-6-12-10/h7-10,12H,4-6,11H2,1-3H3
InChIKeyTZTOIEBRBUIOJQ-UHFFFAOYSA-N
XLogP1.36
TPSA47.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine?
The IUPAC name of 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine (CID 146237768) is 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine.
What is the SMILES notation for 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine?
The canonical SMILES for 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine is CC(N)CC(CC1CN1)C(C)C.
What is the InChIKey of 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine?
The InChIKey is TZTOIEBRBUIOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-7(2)9(4-8(3)11)5-10-6-12-10/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine?
4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aziridin-2-ylmethyl)-5-methylhexan-2-amine is sourced from PubChem (CID 146237768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).