2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine

C15H31NO — CID 114535108

IUPAC2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCC(C)CC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C15H31NO/c1-6-13(4)9-15(7-8-17-14(15)5)11-16-10-12(2)3/h12-14,16H,6-11H2,1-5H3
InChIKeyRZQSDHRLXQHBTM-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds7

About 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 114535108) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID114535108
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCC(C)CC1(CNCC(C)C)CCOC1C
InChIInChI=1S/C15H31NO/c1-6-13(4)9-15(7-8-17-14(15)5)11-16-10-12(2)3/h12-14,16H,6-11H2,1-5H3
InChIKeyRZQSDHRLXQHBTM-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine (CID 114535108) is 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine is CCC(C)CC1(CNCC(C)C)CCOC1C.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is RZQSDHRLXQHBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-13(4)9-15(7-8-17-14(15)5)11-16-10-12(2)3/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-(2-methylbutyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114535108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).