(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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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).