N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine

C10H21NO — CID 79368608

IUPACN-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine
SMILESCNCC1CCOC1CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-10-9(7-11-3)4-5-12-10/h8-11H,4-7H2,1-3H3
InChIKeyLDNJFWUKHXHHKB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds4

About N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine

N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine (PubChem CID 79368608) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine
PubChem CID79368608
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine
SMILESCNCC1CCOC1CC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-10-9(7-11-3)4-5-12-10/h8-11H,4-7H2,1-3H3
InChIKeyLDNJFWUKHXHHKB-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine (CID 79368608) is N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine is CNCC1CCOC1CC(C)C.
What is the InChIKey of N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine?
The InChIKey is LDNJFWUKHXHHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-10-9(7-11-3)4-5-12-10/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine?
N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine has a molecular weight of 171.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpropyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 79368608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).