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

C19H35NO — CID 102648794

IUPACN-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCCC1CCC(C(NCCC)C2=CCCCO2)CC1
InChIInChI=1S/C19H35NO/c1-3-5-8-16-10-12-17(13-11-16)19(20-14-4-2)18-9-6-7-15-21-18/h9,16-17,19-20H,3-8,10-15H2,1-2H3
InChIKeyNAUZYTXPPBXHAN-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.05
Rot. Bonds8

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

N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102648794) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102648794
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCCC1CCC(C(NCCC)C2=CCCCO2)CC1
InChIInChI=1S/C19H35NO/c1-3-5-8-16-10-12-17(13-11-16)19(20-14-4-2)18-9-6-7-15-21-18/h9,16-17,19-20H,3-8,10-15H2,1-2H3
InChIKeyNAUZYTXPPBXHAN-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102648794) is N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCCC1CCC(C(NCCC)C2=CCCCO2)CC1.
What is the InChIKey of N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is NAUZYTXPPBXHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-3-5-8-16-10-12-17(13-11-16)19(20-14-4-2)18-9-6-7-15-21-18/h9,16-17,19-20H,3-8,10-15H2,1-2H3.
What are the key properties of N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 102648794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).