N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine

C13H25NO — CID 107412308

IUPACN-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
SMILESCC1CCC(CNCC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-11-2-3-13(8-11)10-14-9-12-4-6-15-7-5-12/h11-14H,2-10H2,1H3
InChIKeyQKXVWBSXGWHSAS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds4

About N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine

N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 107412308) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID107412308
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
SMILESCC1CCC(CNCC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-11-2-3-13(8-11)10-14-9-12-4-6-15-7-5-12/h11-14H,2-10H2,1H3
InChIKeyQKXVWBSXGWHSAS-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733
N-[(3-methylcyclopentyl)methyl]hydroxylamine
CID 58861173
2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412907
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
CID 107703705
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
1-(2-methylpiperidin-4-yl)-N-(oxolan-3-ylmethyl)methanamine
CID 106741043
1-[(3-methylcyclopentyl)methylamino]butan-2-ol
CID 107412667
N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine (CID 107412308) is N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine is CC1CCC(CNCC2CCOCC2)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is QKXVWBSXGWHSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-2-3-13(8-11)10-14-9-12-4-6-15-7-5-12/h11-14H,2-10H2,1H3.
What are the key properties of N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine?
N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 107412308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).