N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine

C21H41N — CID 130267606

IUPACN-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine
SMILESC=C(CCCCCCCCN(C)C(=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H41N/c1-18(20(3,4)5)16-14-12-10-11-13-15-17-22(9)19(2)21(6,7)8/h1-2,10-17H2,3-9H3
InChIKeyIXFCYLJVONUSOB-UHFFFAOYSA-N
MW307.57 g/mol
LogP6.81
Rot. Bonds10

About N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine

N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine (PubChem CID 130267606) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine
PubChem CID130267606
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine
SMILESC=C(CCCCCCCCN(C)C(=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H41N/c1-18(20(3,4)5)16-14-12-10-11-13-15-17-22(9)19(2)21(6,7)8/h1-2,10-17H2,3-9H3
InChIKeyIXFCYLJVONUSOB-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine
CID 155274657
N-ethyl-2,3-dimethyl-3-(4-methylcyclohex-3-en-1-yl)-N-prop-1-en-2-ylbutan-1-amine
CID 68302337
(3R)-N,N-dimethyl-3-(2-methylpropyl)dec-1-en-2-amine
CID 89311785
(4,4-Diethyl-2,5,5,6-tetramethylhept-6-en-2-yl)-(4,4-dimethylpentyl)-dimethylazanium
CID 123248202
N-butyl-N,2,8-trimethylnon-8-en-4-amine
CID 123347711
4,4-Dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine
CID 123350734
4,4-Dimethylpentyl-(4-ethyl-2,4,5,5,6-pentamethylhept-6-en-2-yl)-dimethylazanium
CID 123992441
N,5-dimethyl-N-pentan-3-yldec-1-en-2-amine
CID 124026019
N,N,7,7-tetramethyl-6-methylideneoctan-1-amine
CID 126554487
N-(5,5-dimethylhexyl)-N,7,7-trimethyloct-1-en-2-amine
CID 126588008
N,7-dimethyl-4-methylidene-N-(4-methylpent-1-en-2-yl)-5-propan-2-yloct-7-en-1-amine
CID 126625125
N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine
CID 126656924

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine (CID 130267606) is N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine is C=C(CCCCCCCCN(C)C(=C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine?
The InChIKey is IXFCYLJVONUSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N/c1-18(20(3,4)5)16-14-12-10-11-13-15-17-22(9)19(2)21(6,7)8/h1-2,10-17H2,3-9H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine?
N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine has a molecular weight of 307.57 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-N,10,10-trimethyl-9-methylideneundecan-1-amine is sourced from PubChem (CID 130267606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).