(3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine

C19H38N2 — CID 6480552

IUPAC(3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine
SMILESCC(C)=CCC[C@H](C)CCNCCCN1CCCCC1C
InChIInChI=1S/C19H38N2/c1-17(2)9-7-10-18(3)12-14-20-13-8-16-21-15-6-5-11-19(21)4/h9,18-20H,5-8,10-16H2,1-4H3/t18-,19?/m0/s1
InChIKeyFZVQAIDSEZCQNE-OYKVQYDMSA-N
MW294.53 g/mol
LogP4.61
Rot. Bonds10

About (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine

(3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine (PubChem CID 6480552) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine.

Molecular Properties

Compound Name(3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine
PubChem CID6480552
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name(3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine
SMILESCC(C)=CCC[C@H](C)CCNCCCN1CCCCC1C
InChIInChI=1S/C19H38N2/c1-17(2)9-7-10-18(3)12-14-20-13-8-16-21-15-6-5-11-19(21)4/h9,18-20H,5-8,10-16H2,1-4H3/t18-,19?/m0/s1
InChIKeyFZVQAIDSEZCQNE-OYKVQYDMSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 53407205
1-piperidineethanamine, N-[(2E)-3,7-dimethyl-2,6-octadienyl]-2-ethyl-
CID 6482274
1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine
CID 134593997
N-[[1-[(4E)-6-fluoro-2,4-dimethylhepta-4,6-dien-2-yl]piperidin-4-yl]methyl]ethanamine
CID 145297020
[3-(2-Methyl-piperidin-1-yl)-propyl]-(1,5,9-trimethyl-deca-4,8-dienyl)-amine
CID 6480533
N-(3,7-Dimethyloct-6-en-1-yl)-3,7-dimethyloct-6-en-1-amine
CID 13945557
1-(3,7-Dimethyloct-6-enyl)piperazine
CID 85783988
3-(4-Methylpent-3-enyl)piperidine
CID 177853532
(E,5S)-N'-[(3S,4S)-1-amino-4-methylheptan-3-yl]-N-ethyl-5-methyl-N-propyl-3-(trifluoromethyl)hex-2-ene-1,6-diamine
CID 162617546
1,3-Propanediamine, N'-[(3S)-3,7-dimethyl-6-octenyl]-N,N-dimethyl-
CID 2298843
N-(cyclohex-3-en-1-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 4852059

Frequently Asked Questions

What is the IUPAC name of (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine?
The IUPAC name of (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine (CID 6480552) is (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine.
What is the SMILES notation for (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine?
The canonical SMILES for (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine is CC(C)=CCC[C@H](C)CCNCCCN1CCCCC1C.
What is the InChIKey of (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine?
The InChIKey is FZVQAIDSEZCQNE-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H38N2/c1-17(2)9-7-10-18(3)12-14-20-13-8-16-21-15-6-5-11-19(21)4/h9,18-20H,5-8,10-16H2,1-4H3/t18-,19?/m0/s1.
What are the key properties of (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine?
(3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,7-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]oct-6-en-1-amine is sourced from PubChem (CID 6480552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).