[(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium

C19H34NO+ — CID 7553123

IUPAC[(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium
SMILESCC(C)CC[C@@H](CC[NH2+]C1CCC(C)CC1)c1ccco1
InChIInChI=1S/C19H33NO/c1-15(2)6-9-17(19-5-4-14-21-19)12-13-20-18-10-7-16(3)8-11-18/h4-5,14-18,20H,6-13H2,1-3H3/p+1/t16?,17-,18?/m0/s1
InChIKeyGLJNQSIDBZLUQA-ADKAHSJRSA-O
MW292.49 g/mol
LogP4.33
Rot. Bonds8

About [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium

[(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium (PubChem CID 7553123) has the molecular formula C19H34NO+ and a molecular weight of 292.49 g/mol. Its IUPAC name is [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium.

Molecular Properties

Compound Name[(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium
PubChem CID7553123
Molecular FormulaC19H34NO+
Molecular Weight292.49 g/mol
Exact Mass292.26
IUPAC Name[(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium
SMILESCC(C)CC[C@@H](CC[NH2+]C1CCC(C)CC1)c1ccco1
InChIInChI=1S/C19H33NO/c1-15(2)6-9-17(19-5-4-14-21-19)12-13-20-18-10-7-16(3)8-11-18/h4-5,14-18,20H,6-13H2,1-3H3/p+1/t16?,17-,18?/m0/s1
InChIKeyGLJNQSIDBZLUQA-ADKAHSJRSA-O
XLogP4.33
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium?
The IUPAC name of [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium (CID 7553123) is [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium.
What is the SMILES notation for [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium?
The canonical SMILES for [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium is CC(C)CC[C@@H](CC[NH2+]C1CCC(C)CC1)c1ccco1.
What is the InChIKey of [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium?
The InChIKey is GLJNQSIDBZLUQA-ADKAHSJRSA-O. The full InChI is InChI=1S/C19H33NO/c1-15(2)6-9-17(19-5-4-14-21-19)12-13-20-18-10-7-16(3)8-11-18/h4-5,14-18,20H,6-13H2,1-3H3/p+1/t16?,17-,18?/m0/s1.
What are the key properties of [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium?
[(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium has a molecular weight of 292.49 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(furan-2-yl)-6-methylheptyl]-(4-methylcyclohexyl)azanium is sourced from PubChem (CID 7553123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).