(6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine

C16H30ClN — CID 146245977

IUPAC(6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine
SMILESC=C(C)C(CC/C(=C/CCCCC)CCl)N(C)C
InChIInChI=1S/C16H30ClN/c1-6-7-8-9-10-15(13-17)11-12-16(14(2)3)18(4)5/h10,16H,2,6-9,11-13H2,1,3-5H3/b15-10-
InChIKeyYMVWMMIBZRATRM-GDNBJRDFSA-N
MW271.88 g/mol
LogP5.02
Rot. Bonds10

About (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine

(6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine (PubChem CID 146245977) has the molecular formula C16H30ClN and a molecular weight of 271.88 g/mol. Its IUPAC name is (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine.

Molecular Properties

Compound Name(6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine
PubChem CID146245977
Molecular FormulaC16H30ClN
Molecular Weight271.88 g/mol
Exact Mass271.21
IUPAC Name(6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine
SMILESC=C(C)C(CC/C(=C/CCCCC)CCl)N(C)C
InChIInChI=1S/C16H30ClN/c1-6-7-8-9-10-15(13-17)11-12-16(14(2)3)18(4)5/h10,16H,2,6-9,11-13H2,1,3-5H3/b15-10-
InChIKeyYMVWMMIBZRATRM-GDNBJRDFSA-N
XLogP5.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.88
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-trimethylhenicos-1-en-3-amine;hydrochloride
CID 173089896
2,3,4-trimethyldeca-1,4-diene
CID 123573024
(4E)-4-propylundeca-1,4-diene
CID 134903488
(E)-4-(chloromethyl)-N,N-dimethyloct-4-en-2-amine
CID 174502351
4-propylundeca-1,4-diene
CID 175604845
4-[(2Z,6E)-6-(chloromethyl)-2-methyldodeca-2,6-dienyl]morpholine
CID 154986326
(E)-11-(5-methylhexyl)henicos-10-ene
CID 155621794
6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
CID 72740292
5-ethyltetradec-5-ene
CID 54129215
6-ethyltridec-6-ene
CID 123238287
(Z)-7-ethyltetradec-7-ene
CID 134978641
7,11-dimethyltridec-6-ene
CID 91025564

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine?
The IUPAC name of (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine (CID 146245977) is (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine.
What is the SMILES notation for (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine?
The canonical SMILES for (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine is C=C(C)C(CC/C(=C/CCCCC)CCl)N(C)C.
What is the InChIKey of (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine?
The InChIKey is YMVWMMIBZRATRM-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H30ClN/c1-6-7-8-9-10-15(13-17)11-12-16(14(2)3)18(4)5/h10,16H,2,6-9,11-13H2,1,3-5H3/b15-10-.
What are the key properties of (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine?
(6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine has a molecular weight of 271.88 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine is sourced from PubChem (CID 146245977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).