N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine

C10H21NO — CID 176572740

IUPACN-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine
SMILESCCCCN(C)CC1(C)CCO1
InChIInChI=1S/C10H21NO/c1-4-5-7-11(3)9-10(2)6-8-12-10/h4-9H2,1-3H3
InChIKeyLFHNJVSXDKUTIT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds5

About N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine

N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine (PubChem CID 176572740) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine
PubChem CID176572740
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine
SMILESCCCCN(C)CC1(C)CCO1
InChIInChI=1S/C10H21NO/c1-4-5-7-11(3)9-10(2)6-8-12-10/h4-9H2,1-3H3
InChIKeyLFHNJVSXDKUTIT-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine (CID 176572740) is N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine is CCCCN(C)CC1(C)CCO1.
What is the InChIKey of N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine?
The InChIKey is LFHNJVSXDKUTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-7-11(3)9-10(2)6-8-12-10/h4-9H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine?
N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyloxetan-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 176572740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).