(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine

C16H33NO — CID 154962067

IUPAC(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine
SMILESCCCOCC/C=C/CCCC(CCC)N(C)C
InChIInChI=1S/C16H33NO/c1-5-12-16(17(3)4)13-10-8-7-9-11-15-18-14-6-2/h7,9,16H,5-6,8,10-15H2,1-4H3/b9-7+
InChIKeyNUBSORBGWJITFC-VQHVLOKHSA-N
MW255.45 g/mol
LogP4.26
Rot. Bonds12

About (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine

(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine (PubChem CID 154962067) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine
PubChem CID154962067
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine
SMILESCCCOCC/C=C/CCCC(CCC)N(C)C
InChIInChI=1S/C16H33NO/c1-5-12-16(17(3)4)13-10-8-7-9-11-15-18-14-6-2/h7,9,16H,5-6,8,10-15H2,1-4H3/b9-7+
InChIKeyNUBSORBGWJITFC-VQHVLOKHSA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
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

(2S)-N,N-dimethyl-1-[(9Z,12Z)-octadeca-9,12-dienoxy]undecan-2-amine
CID 56948152
(2S)-N,N-dimethyl-1-[(9Z,12Z)-octadeca-9,12-dienoxy]nonan-2-amine
CID 56948276
(2S)-N,N-dimethyl-1-[(9Z,12Z)-octadeca-9,12-dienoxy]decan-2-amine
CID 56948402
(2R,12Z,15Z)-1-hexoxy-N,N-dimethylhenicosa-12,15-dien-2-amine
CID 56948404
(2S,12Z,15Z)-1-hexoxy-N,N-dimethylhenicosa-12,15-dien-2-amine
CID 56948531
N,N-dimethyl-1-octadeca-9,12-dienoxynonan-2-amine
CID 76471133
N,N-dimethyl-1-octadeca-9,12-dienoxydecan-2-amine
CID 76471190
1-hexoxy-N,N-dimethylhenicosa-12,15-dien-2-amine
CID 76471192
N,N-dimethyl-1-[(9Z,12Z)-octadeca-9,12-dienoxy]decan-2-amine
CID 87173751
(2S,12Z,15Z)-N,N-dimethyl-1-octoxyhenicosa-12,15-dien-2-amine
CID 89846306
(2S)-N,N-dimethyl-1-[(9Z,12E)-octadeca-9,12-dienoxy]undecan-2-amine
CID 118416910
(2S)-N,N-dimethyl-1-octadeca-9,12-dienoxydecan-2-amine
CID 123232356

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine?
The IUPAC name of (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine (CID 154962067) is (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine.
What is the SMILES notation for (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine?
The canonical SMILES for (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine is CCCOCC/C=C/CCCC(CCC)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine?
The InChIKey is NUBSORBGWJITFC-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-12-16(17(3)4)13-10-8-7-9-11-15-18-14-6-2/h7,9,16H,5-6,8,10-15H2,1-4H3/b9-7+.
What are the key properties of (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine?
(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine has a molecular weight of 255.45 g/mol, XLogP of 4.26, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine is sourced from PubChem (CID 154962067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).