N-methyl-3-(3-methylbutyl)aziridin-2-amine

C8H18N2 — CID 123697956

IUPACN-methyl-3-(3-methylbutyl)aziridin-2-amine
SMILESCNC1NC1CCC(C)C
InChIInChI=1S/C8H18N2/c1-6(2)4-5-7-8(9-3)10-7/h6-10H,4-5H2,1-3H3
InChIKeyINNLQXPXCBBFAK-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.94
Rot. Bonds4

About N-methyl-3-(3-methylbutyl)aziridin-2-amine

N-methyl-3-(3-methylbutyl)aziridin-2-amine (PubChem CID 123697956) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-methyl-3-(3-methylbutyl)aziridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylbutyl)aziridin-2-amine
PubChem CID123697956
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-methyl-3-(3-methylbutyl)aziridin-2-amine
SMILESCNC1NC1CCC(C)C
InChIInChI=1S/C8H18N2/c1-6(2)4-5-7-8(9-3)10-7/h6-10H,4-5H2,1-3H3
InChIKeyINNLQXPXCBBFAK-UHFFFAOYSA-N
XLogP0.94
TPSA33.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.94
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 N-methyl-3-(3-methylbutyl)aziridin-2-amine?
The IUPAC name of N-methyl-3-(3-methylbutyl)aziridin-2-amine (CID 123697956) is N-methyl-3-(3-methylbutyl)aziridin-2-amine.
What is the SMILES notation for N-methyl-3-(3-methylbutyl)aziridin-2-amine?
The canonical SMILES for N-methyl-3-(3-methylbutyl)aziridin-2-amine is CNC1NC1CCC(C)C.
What is the InChIKey of N-methyl-3-(3-methylbutyl)aziridin-2-amine?
The InChIKey is INNLQXPXCBBFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6(2)4-5-7-8(9-3)10-7/h6-10H,4-5H2,1-3H3.
What are the key properties of N-methyl-3-(3-methylbutyl)aziridin-2-amine?
N-methyl-3-(3-methylbutyl)aziridin-2-amine has a molecular weight of 142.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylbutyl)aziridin-2-amine is sourced from PubChem (CID 123697956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).