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

C16H29NO — CID 102647316

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC(C)CC1
InChIInChI=1S/C16H29NO/c1-3-11-17-16(15-6-4-5-12-18-15)14-9-7-13(2)8-10-14/h6,13-14,16-17H,3-5,7-12H2,1-2H3
InChIKeyJGHOINNGZHBJLO-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.88
Rot. Bonds5

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

N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 102647316) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine
PubChem CID102647316
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC(C)CC1
InChIInChI=1S/C16H29NO/c1-3-11-17-16(15-6-4-5-12-18-15)14-9-7-13(2)8-10-14/h6,13-14,16-17H,3-5,7-12H2,1-2H3
InChIKeyJGHOINNGZHBJLO-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butyl-N-[(1-ethenyl-4a-fluoro-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)methyl]-2-ethoxycyclohex-2-en-1-amine
CID 123747353
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
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
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine (CID 102647316) is N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCC(C)CC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is JGHOINNGZHBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-11-17-16(15-6-4-5-12-18-15)14-9-7-13(2)8-10-14/h6,13-14,16-17H,3-5,7-12H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(4-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 102647316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).