N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine

C22H43N — CID 138564145

IUPACN,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine
SMILESC=CCC(CNC)C(CCC)CC(C)C(CC(C)C=C)C(C)C
InChIInChI=1S/C22H43N/c1-9-12-20(21(13-10-2)16-23-8)15-19(7)22(17(4)5)14-18(6)11-3/h10-11,17-23H,2-3,9,12-16H2,1,4-8H3
InChIKeyWRUKYHXXOBSMLR-UHFFFAOYSA-N
MW321.59 g/mol
LogP6.32
Rot. Bonds14

About N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine

N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine (PubChem CID 138564145) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine.

Molecular Properties

Compound NameN,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine
PubChem CID138564145
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC NameN,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine
SMILESC=CCC(CNC)C(CCC)CC(C)C(CC(C)C=C)C(C)C
InChIInChI=1S/C22H43N/c1-9-12-20(21(13-10-2)16-23-8)15-19(7)22(17(4)5)14-18(6)11-3/h10-11,17-23H,2-3,9,12-16H2,1,4-8H3
InChIKeyWRUKYHXXOBSMLR-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4,5,6-tetramethylhept-6-en-1-amine
CID 129141764
N-[2-(2,5-dimethylidenecycloheptyl)ethyl]heptan-1-amine
CID 134223065
6-N-[3-[3-(1-amino-5-methylhept-6-en-2-yl)-4-methylcyclopentyl]propyl]-3-methyloctane-1,6-diamine
CID 134223569
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
N-[4-fluoro-4-methyl-2-(2-methylcyclopentyl)-3-propylhexyl]-6,8-dimethyldec-9-en-2-amine
CID 155055595
5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine
CID 166976507
1-[(3E)-9-(1-fluoropentan-2-yl)-2,5-dimethylcyclonon-3-en-1-yl]-N-methylethanamine
CID 173795659
(3S,4R)-3-ethenyl-2-fluoro-N,4,5-trimethylhexan-1-amine
CID 174091403
2,2-Diallylazacyclotridecane
CID 3640984
N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine
CID 11031535
(4S,8R)-4-ethyl-8-methyldec-9-en-1-amine
CID 54597401
Diallylbutylmethylammonium iodide
CID 129824703

Frequently Asked Questions

What is the IUPAC name of N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine?
The IUPAC name of N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine (CID 138564145) is N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine.
What is the SMILES notation for N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine?
The canonical SMILES for N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine is C=CCC(CNC)C(CCC)CC(C)C(CC(C)C=C)C(C)C.
What is the InChIKey of N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine?
The InChIKey is WRUKYHXXOBSMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-9-12-20(21(13-10-2)16-23-8)15-19(7)22(17(4)5)14-18(6)11-3/h10-11,17-23H,2-3,9,12-16H2,1,4-8H3.
What are the key properties of N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine?
N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine has a molecular weight of 321.59 g/mol, XLogP of 6.32, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,8-trimethyl-6-propan-2-yl-2-prop-2-enyl-3-propyldec-9-en-1-amine is sourced from PubChem (CID 138564145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).