(Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine

C28H55N — CID 166796288

IUPAC(Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine
SMILESCC/C=C\CCCC(C)C(CCC/C=C\CCCCC)CCCCCCN(C)C
InChIInChI=1S/C28H55N/c1-6-8-10-12-13-14-16-20-24-28(25-21-17-18-22-26-29(4)5)27(3)23-19-15-11-9-7-2/h9,11,13-14,27-28H,6-8,10,12,15-26H2,1-5H3/b11-9-,14-13-
InChIKeyXISICPUUUDUBOM-VNBGKYRTSA-N
MW405.76 g/mol
LogP9.19
Rot. Bonds21

About (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine

(Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine (PubChem CID 166796288) has the molecular formula C28H55N and a molecular weight of 405.76 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine
PubChem CID166796288
Molecular FormulaC28H55N
Molecular Weight405.76 g/mol
Exact Mass405.43
IUPAC Name(Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine
SMILESCC/C=C\CCCC(C)C(CCC/C=C\CCCCC)CCCCCCN(C)C
InChIInChI=1S/C28H55N/c1-6-8-10-12-13-14-16-20-24-28(25-21-17-18-22-26-29(4)5)27(3)23-19-15-11-9-7-2/h9,11,13-14,27-28H,6-8,10,12,15-26H2,1-5H3/b11-9-,14-13-
InChIKeyXISICPUUUDUBOM-VNBGKYRTSA-N
XLogP9.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 59.19
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

(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
14-butan-2-yltetracos-9-ene
CID 173194129
(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
CID 171447799
1-chloroethanol;(Z)-N,N-dimethyloctadec-9-en-1-amine
CID 121437265
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
(E)-10,15-dimethyltricos-3-ene
CID 173194599
8-methyl-7-pentylhexadecane
CID 123739023
4-(12-dec-4-enyldocosa-6,16-dien-11-yloxy)-N,N-dimethylbutan-1-amine
CID 78156814
N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
CID 6437658
[(Z)-9-octylicos-14-en-10-yl] 6-(dimethylamino)hexanoate
CID 155163843

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine (CID 166796288) is (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine is CC/C=C\CCCC(C)C(CCC/C=C\CCCCC)CCCCCCN(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine?
The InChIKey is XISICPUUUDUBOM-VNBGKYRTSA-N. The full InChI is InChI=1S/C28H55N/c1-6-8-10-12-13-14-16-20-24-28(25-21-17-18-22-26-29(4)5)27(3)23-19-15-11-9-7-2/h9,11,13-14,27-28H,6-8,10,12,15-26H2,1-5H3/b11-9-,14-13-.
What are the key properties of (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine?
(Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine has a molecular weight of 405.76 g/mol, XLogP of 9.19, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine is sourced from PubChem (CID 166796288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).