N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

C15H27NO — CID 102647215

IUPACN-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-2-11-16-15(13-8-4-3-5-9-13)14-10-6-7-12-17-14/h10,13,15-16H,2-9,11-12H2,1H3
InChIKeyMBGWVUGNRSATHA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.63
Rot. Bonds5

About N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102647215) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102647215
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-2-11-16-15(13-8-4-3-5-9-13)14-10-6-7-12-17-14/h10,13,15-16H,2-9,11-12H2,1H3
InChIKeyMBGWVUGNRSATHA-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorocyclohexen-1-yl)oxy-N-[(4-methylcyclohex-3-en-1-yl)methyl]ethanamine
CID 69627092
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648765
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648859
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 102648887
N-[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102648944
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
N-[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649283
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 102649388
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649615
N-[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 102649626
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649634

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102647215) is N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is MBGWVUGNRSATHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-11-16-15(13-8-4-3-5-9-13)14-10-6-7-12-17-14/h10,13,15-16H,2-9,11-12H2,1H3.
What are the key properties of N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 102647215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).