(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine

C10H16BrN — CID 90142129

IUPAC(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C(C)/C(Br)=C(\C=C/C)CNC
InChIInChI=1S/C10H16BrN/c1-5-6-9(7-12-4)10(11)8(2)3/h5-6,12H,2,7H2,1,3-4H3/b6-5-,10-9-
InChIKeyQMDGBZHDTVOZSQ-WBHJMADESA-N
MW230.15 g/mol
LogP3.01
Rot. Bonds4

About (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine

(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine (PubChem CID 90142129) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
PubChem CID90142129
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C(C)/C(Br)=C(\C=C/C)CNC
InChIInChI=1S/C10H16BrN/c1-5-6-9(7-12-4)10(11)8(2)3/h5-6,12H,2,7H2,1,3-4H3/b6-5-,10-9-
InChIKeyQMDGBZHDTVOZSQ-WBHJMADESA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene
CID 123219391
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
(2Z,4Z)-3,4-dimethylhexa-2,4-diene;N,2-dimethylprop-2-en-1-amine;(3Z,5Z)-4-methylhepta-1,3,5-triene;propane
CID 156721035
(4E)-5-bromo-4-[(Z)-prop-1-enyl]hepta-4,6-dien-2-one
CID 142230705
(2E,3Z,5Z,6E)-2,5-di(ethylidene)-N,3-dimethylocta-3,6-dien-1-amine
CID 142124144
(3Z)-2-bromopenta-1,3-diene
CID 89363869
(3Z,5Z)-4-bromo-2-methylhepta-1,3,5-trien-3-ol
CID 88945187
(Z)-N-methyl-2-methyliminopent-3-en-1-amine
CID 143155280
1-(methylamino)pent-3-en-2-one;xenon;hydrofluoride
CID 172819969
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
4-ethylidene-6-propan-2-ylidenenona-1,7-diene
CID 91411455
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine (CID 90142129) is (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine is C=C(C)/C(Br)=C(\C=C/C)CNC.
What is the InChIKey of (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The InChIKey is QMDGBZHDTVOZSQ-WBHJMADESA-N. The full InChI is InChI=1S/C10H16BrN/c1-5-6-9(7-12-4)10(11)8(2)3/h5-6,12H,2,7H2,1,3-4H3/b6-5-,10-9-.
What are the key properties of (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
(2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine has a molecular weight of 230.15 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-bromo-N,4-dimethyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 90142129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).