2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine

C13H27NO — CID 115887817

IUPAC2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
SMILESCCC(C)CNCC1CCOC1C(C)C
InChIInChI=1S/C13H27NO/c1-5-11(4)8-14-9-12-6-7-15-13(12)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyTWFGUQLUSJTCJV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds6

About 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine

2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine (PubChem CID 115887817) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
PubChem CID115887817
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
SMILESCCC(C)CNCC1CCOC1C(C)C
InChIInChI=1S/C13H27NO/c1-5-11(4)8-14-9-12-6-7-15-13(12)10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyTWFGUQLUSJTCJV-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-tert-butyloxolan-3-yl)methyl]-2-methylbutan-1-amine
CID 115887579
N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
2-methyl-N-[[2-(4-methylpentan-2-yl)oxolan-3-yl]methyl]propan-1-amine
CID 114201269
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129000253
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
CID 79368733
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
CID 115726718
N-methyl-1-(2-pentan-2-yloxolan-3-yl)methanamine
CID 79368413
N-[(2-butan-2-yloxolan-3-yl)methyl]cyclopropanamine
CID 79368548
N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine
CID 115677915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine (CID 115887817) is 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine is CCC(C)CNCC1CCOC1C(C)C.
What is the InChIKey of 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine?
The InChIKey is TWFGUQLUSJTCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-11(4)8-14-9-12-6-7-15-13(12)10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine?
2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 115887817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).