(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine

C14H25NO — CID 129016069

IUPAC(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine
SMILESCCC(C)/C=C\C1=C(C)C([C@H](C)N)OCC1
InChIInChI=1S/C14H25NO/c1-5-10(2)6-7-13-8-9-16-14(11(13)3)12(4)15/h6-7,10,12,14H,5,8-9,15H2,1-4H3/b7-6-/t10?,12-,14?/m0/s1
InChIKeyLMJSYGHSOZDHRW-SRQOCIJFSA-N
MW223.36 g/mol
LogP3.04
Rot. Bonds4

About (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine

(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine (PubChem CID 129016069) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine
PubChem CID129016069
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine
SMILESCCC(C)/C=C\C1=C(C)C([C@H](C)N)OCC1
InChIInChI=1S/C14H25NO/c1-5-10(2)6-7-13-8-9-16-14(11(13)3)12(4)15/h6-7,10,12,14H,5,8-9,15H2,1-4H3/b7-6-/t10?,12-,14?/m0/s1
InChIKeyLMJSYGHSOZDHRW-SRQOCIJFSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine?
The IUPAC name of (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine (CID 129016069) is (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine.
What is the SMILES notation for (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine?
The canonical SMILES for (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine is CCC(C)/C=C\C1=C(C)C([C@H](C)N)OCC1.
What is the InChIKey of (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine?
The InChIKey is LMJSYGHSOZDHRW-SRQOCIJFSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-10(2)6-7-13-8-9-16-14(11(13)3)12(4)15/h6-7,10,12,14H,5,8-9,15H2,1-4H3/b7-6-/t10?,12-,14?/m0/s1.
What are the key properties of (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine?
(1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-4-[(Z)-3-methylpent-1-enyl]-3,6-dihydro-2H-pyran-6-yl]ethanamine is sourced from PubChem (CID 129016069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).