bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine

C10H20BrN — CID 142309153

IUPACbromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine
SMILESCBr.CC/C=C\C=C/CN(C)C
InChIInChI=1S/C9H17N.CH3Br/c1-4-5-6-7-8-9-10(2)3;1-2/h5-8H,4,9H2,1-3H3;1H3/b6-5-,8-7-;
InChIKeyKOJPBSUXLYSNNW-OICKEEGDSA-N
MW234.18 g/mol
LogP3.08
Rot. Bonds4

About bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine

bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine (PubChem CID 142309153) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Namebromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine
PubChem CID142309153
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Namebromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine
SMILESCBr.CC/C=C\C=C/CN(C)C
InChIInChI=1S/C9H17N.CH3Br/c1-4-5-6-7-8-9-10(2)3;1-2/h5-8H,4,9H2,1-3H3;1H3/b6-5-,8-7-;
InChIKeyKOJPBSUXLYSNNW-OICKEEGDSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
CID 155386408
(5E)-octa-3,5-diene
CID 173104147
(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
CID 23271071
(2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine
CID 163670390
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
(1E,3Z,5E)-1-chloroocta-1,3,5-triene
CID 142113042
deca-1,3,5,7-tetraene
CID 54238998
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
docosa-1,3,5,7,9,11,13,15,17,19-decaene
CID 91543808
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188

Frequently Asked Questions

What is the IUPAC name of bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine?
The IUPAC name of bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine (CID 142309153) is bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine.
What is the SMILES notation for bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine?
The canonical SMILES for bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine is CBr.CC/C=C\C=C/CN(C)C.
What is the InChIKey of bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine?
The InChIKey is KOJPBSUXLYSNNW-OICKEEGDSA-N. The full InChI is InChI=1S/C9H17N.CH3Br/c1-4-5-6-7-8-9-10(2)3;1-2/h5-8H,4,9H2,1-3H3;1H3/b6-5-,8-7-;.
What are the key properties of bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine?
bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine has a molecular weight of 234.18 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine is sourced from PubChem (CID 142309153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).