N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane

C20H41NO — CID 171629250

IUPACN,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
SMILESC=CCCCCC(CCCCC=C)OCCCN(C)C.CC
InChIInChI=1S/C18H35NO.C2H6/c1-5-7-9-11-14-18(15-12-10-8-6-2)20-17-13-16-19(3)4;1-2/h5-6,18H,1-2,7-17H2,3-4H3;1-2H3
InChIKeyKWDCOCAQWVNCRA-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.84
Rot. Bonds15

About N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane

N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane (PubChem CID 171629250) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
PubChem CID171629250
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane
SMILESC=CCCCCC(CCCCC=C)OCCCN(C)C.CC
InChIInChI=1S/C18H35NO.C2H6/c1-5-7-9-11-14-18(15-12-10-8-6-2)20-17-13-16-19(3)4;1-2/h5-6,18H,1-2,7-17H2,3-4H3;1-2H3
InChIKeyKWDCOCAQWVNCRA-UHFFFAOYSA-N
XLogP5.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.84
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

10-(4-bromobutoxy)nonadeca-1,18-diene
CID 146462897
3-heptadecan-9-yloxy-N,N-dimethylpropan-1-amine
CID 140938522
N,N-dimethylpent-4-en-1-amine;ethane
CID 155570199
6-[3-(dimethylamino)propoxy]undecanedioic acid;hydrochloride
CID 171629245
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
N,N-dimethyl-5,6-bis(octadec-9-enoxy)hexan-1-amine
CID 54340394
7,8-dimethoxyoct-1-ene
CID 3022579
N,N-dimethyl-2-[(5E,8E,26E,29E)-pentatriaconta-5,8,26,29-tetraen-18-yl]oxyethanamine
CID 54674315
7-methoxynon-1-ene
CID 91435315
1-O-[3-(dimethylamino)propyl] 4-O-undec-10-enyl 2-[2,3-di(tetradecoxy)propoxycarbonylamino]butanedioate
CID 177270031
6-(3-methylbutan-2-yloxy)hex-1-ene
CID 123623641
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane?
The IUPAC name of N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane (CID 171629250) is N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane.
What is the SMILES notation for N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane?
The canonical SMILES for N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane is C=CCCCCC(CCCCC=C)OCCCN(C)C.CC.
What is the InChIKey of N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane?
The InChIKey is KWDCOCAQWVNCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO.C2H6/c1-5-7-9-11-14-18(15-12-10-8-6-2)20-17-13-16-19(3)4;1-2/h5-6,18H,1-2,7-17H2,3-4H3;1-2H3.
What are the key properties of N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane?
N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane has a molecular weight of 311.55 g/mol, XLogP of 5.84, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-trideca-1,12-dien-7-yloxypropan-1-amine;ethane is sourced from PubChem (CID 171629250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).