(Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine

C8H16BrNO — CID 167217130

IUPAC(Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine
SMILESCC/C(NCBr)=C(\CC)OC
InChIInChI=1S/C8H16BrNO/c1-4-7(10-6-9)8(5-2)11-3/h10H,4-6H2,1-3H3/b8-7-
InChIKeyMDSIGAUYZLRBEB-FPLPWBNLSA-N
MW222.13 g/mol
LogP2.61
Rot. Bonds5

About (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine

(Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine (PubChem CID 167217130) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine
PubChem CID167217130
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name(Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine
SMILESCC/C(NCBr)=C(\CC)OC
InChIInChI=1S/C8H16BrNO/c1-4-7(10-6-9)8(5-2)11-3/h10H,4-6H2,1-3H3/b8-7-
InChIKeyMDSIGAUYZLRBEB-FPLPWBNLSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N,2-dimethylhex-3-en-3-amine
CID 140101348
4-methoxy-N,5-dimethylhex-3-en-3-amine
CID 140101371
N-ethyl-4-methoxy-2-methylhex-3-en-3-amine
CID 140101383
4-ethoxy-N,2-dimethylhex-3-en-3-amine
CID 140101412
carbanide;(Z)-N-methanidyl-3-methoxypent-2-en-2-amine;2-methylpropane;uranium(4+)
CID 163487059
(Z)-3-methoxy-N-methylpent-2-en-2-amine
CID 163487060

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine?
The IUPAC name of (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine (CID 167217130) is (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine.
What is the SMILES notation for (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine?
The canonical SMILES for (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine is CC/C(NCBr)=C(\CC)OC.
What is the InChIKey of (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine?
The InChIKey is MDSIGAUYZLRBEB-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-4-7(10-6-9)8(5-2)11-3/h10H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine?
(Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine has a molecular weight of 222.13 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(bromomethyl)-4-methoxyhex-3-en-3-amine is sourced from PubChem (CID 167217130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).