N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine

C10H21NO — CID 91362488

IUPACN,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine
SMILESCC(C)CN(C)CC1(C)COC1
InChIInChI=1S/C10H21NO/c1-9(2)5-11(4)6-10(3)7-12-8-10/h9H,5-8H2,1-4H3
InChIKeyPJZIDPCQWIYYPL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.61
Rot. Bonds4

About N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine

N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine (PubChem CID 91362488) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine
PubChem CID91362488
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine
SMILESCC(C)CN(C)CC1(C)COC1
InChIInChI=1S/C10H21NO/c1-9(2)5-11(4)6-10(3)7-12-8-10/h9H,5-8H2,1-4H3
InChIKeyPJZIDPCQWIYYPL-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine (CID 91362488) is N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine is CC(C)CN(C)CC1(C)COC1.
What is the InChIKey of N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine?
The InChIKey is PJZIDPCQWIYYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)5-11(4)6-10(3)7-12-8-10/h9H,5-8H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine?
N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 91362488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).