N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine

C9H17NO — CID 63865680

IUPACN-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine
SMILESCC1CC1CN(C)CC1CO1
InChIInChI=1S/C9H17NO/c1-7-3-8(7)4-10(2)5-9-6-11-9/h7-9H,3-6H2,1-2H3
InChIKeyNPPRADJLYWOOAA-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.97
Rot. Bonds4

About N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine

N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine (PubChem CID 63865680) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine
PubChem CID63865680
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine
SMILESCC1CC1CN(C)CC1CO1
InChIInChI=1S/C9H17NO/c1-7-3-8(7)4-10(2)5-9-6-11-9/h7-9H,3-6H2,1-2H3
InChIKeyNPPRADJLYWOOAA-UHFFFAOYSA-N
XLogP0.97
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
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-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine (CID 63865680) is N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine is CC1CC1CN(C)CC1CO1.
What is the InChIKey of N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine?
The InChIKey is NPPRADJLYWOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-3-8(7)4-10(2)5-9-6-11-9/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine?
N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylcyclopropyl)-N-(oxiran-2-ylmethyl)methanamine is sourced from PubChem (CID 63865680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).