N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine

C16H31NO — CID 63010486

IUPACN-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CCCCC2)CCCOC1
InChIInChI=1S/C16H31NO/c1-2-10-17-13-16(9-6-11-18-14-16)12-15-7-4-3-5-8-15/h15,17H,2-14H2,1H3
InChIKeyGCKSKXZZUJDTQQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds6

About N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine

N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine (PubChem CID 63010486) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
PubChem CID63010486
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CC2CCCCC2)CCCOC1
InChIInChI=1S/C16H31NO/c1-2-10-17-13-16(9-6-11-18-14-16)12-15-7-4-3-5-8-15/h15,17H,2-14H2,1H3
InChIKeyGCKSKXZZUJDTQQ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
N-[[3-(cyclopropylmethoxymethyl)oxan-3-yl]methyl]propan-1-amine
CID 114113293
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63741518
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63973563
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-1-amine
CID 63509617
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 83221694
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 62718836
N-[[1-(cyclopentylmethyl)cyclohexyl]methyl]ethanamine
CID 63507298
N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63740701

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine (CID 63010486) is N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine is CCCNCC1(CC2CCCCC2)CCCOC1.
What is the InChIKey of N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine?
The InChIKey is GCKSKXZZUJDTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-10-17-13-16(9-6-11-18-14-16)12-15-7-4-3-5-8-15/h15,17H,2-14H2,1H3.
What are the key properties of N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine?
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 63010486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).