12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine

C18H36N2 — CID 123603822

IUPAC12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine
SMILESC/C=N/CC(C)C(C)=CCCCCCCC(C)N(C)C
InChIInChI=1S/C18H36N2/c1-7-19-15-17(3)16(2)13-11-9-8-10-12-14-18(4)20(5)6/h7,13,17-18H,8-12,14-15H2,1-6H3/b16-13?,19-7+
InChIKeyPAVKQYJBXJFPDX-XUAGIGDRSA-N
MW280.50 g/mol
LogP4.95
Rot. Bonds11

About 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine

12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine (PubChem CID 123603822) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine.

Molecular Properties

Compound Name12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine
PubChem CID123603822
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine
SMILESC/C=N/CC(C)C(C)=CCCCCCCC(C)N(C)C
InChIInChI=1S/C18H36N2/c1-7-19-15-17(3)16(2)13-11-9-8-10-12-14-18(4)20(5)6/h7,13,17-18H,8-12,14-15H2,1-6H3/b16-13?,19-7+
InChIKeyPAVKQYJBXJFPDX-XUAGIGDRSA-N
XLogP4.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
CID 69083457
N,N-dibutyl-1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-en-7-amine
CID 69083458
N,N-dimethyl-3-(4-methyl-2,3-dihydropyridin-2-yl)propan-1-amine
CID 70518349
6-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]imino-N,N-dimethylhexan-3-amine
CID 118396905
Butylidene-[5-(3,4-dimethylhept-1-en-2-yl)-4-ethyl-2-methylcyclohex-3-en-1-yl]-methylazanium
CID 123398825
(1Z,2E,6Z)-N-(2-methylpropyl)-N-nonan-5-yl-6-propyl-4,5-dihydroazocin-2-amine
CID 141940390
ethane;N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine
CID 142120671
1-Cyclohexadec-7-en-1-yl-1,8-diazacyclohexadec-7-ene
CID 174234079
N-[(E)-2-methyl-1-[(Z)-[(E)-3-methylhex-2-enylidene]amino]but-1-enyl]-N-propylnonan-5-amine
CID 142120672
(Z)-3-(ethylideneamino)-N,N-dimethyl-6-methylidene-9-propyltridec-2-en-5-amine
CID 156749365

Frequently Asked Questions

What is the IUPAC name of 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine?
The IUPAC name of 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine (CID 123603822) is 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine.
What is the SMILES notation for 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine?
The canonical SMILES for 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine is C/C=N/CC(C)C(C)=CCCCCCCC(C)N(C)C.
What is the InChIKey of 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine?
The InChIKey is PAVKQYJBXJFPDX-XUAGIGDRSA-N. The full InChI is InChI=1S/C18H36N2/c1-7-19-15-17(3)16(2)13-11-9-8-10-12-14-18(4)20(5)6/h7,13,17-18H,8-12,14-15H2,1-6H3/b16-13?,19-7+.
What are the key properties of 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine?
12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine has a molecular weight of 280.50 g/mol, XLogP of 4.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(ethylideneamino)-N,N,10,11-tetramethyldodec-9-en-2-amine is sourced from PubChem (CID 123603822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).