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

C18H29NO — CID 62719041

IUPAC2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCCc2ccccc2)CCOC1
InChIInChI=1S/C18H29NO/c1-16(2)13-19-14-18(11-12-20-15-18)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,19H,6,9-15H2,1-2H3
InChIKeyUXYIMJHHYYKCRI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.66
Rot. Bonds8

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

2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62719041) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62719041
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCCc2ccccc2)CCOC1
InChIInChI=1S/C18H29NO/c1-16(2)13-19-14-18(11-12-20-15-18)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,19H,6,9-15H2,1-2H3
InChIKeyUXYIMJHHYYKCRI-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
CID 62906628
[4-(3-phenylpropyl)oxan-4-yl]methanamine
CID 62906769
2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
CID 65164937
N-[[3-(1-benzothiophen-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 63736757
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 114933661
2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62905753
2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106730002
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62905226
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62259743
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]aniline
CID 62260426
N-[[3-(3-ethylsulfanylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 114113336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine (CID 62719041) is 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine is CC(C)CNCC1(CCCc2ccccc2)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is UXYIMJHHYYKCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-16(2)13-19-14-18(11-12-20-15-18)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16,19H,6,9-15H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62719041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).