N-(1-bromoethyl)-N-ethenylpropanimidamide

C7H13BrN2 — CID 146638836

IUPACN-(1-bromoethyl)-N-ethenylpropanimidamide
SMILES[H]/N=C(\CC)N(C=C)C(C)Br
InChIInChI=1S/C7H13BrN2/c1-4-7(9)10(5-2)6(3)8/h5-6,9H,2,4H2,1,3H3/b9-7+
InChIKeyIWSDMQMAYKNWSA-VQHVLOKHSA-N
MW205.10 g/mol
LogP2.56
Rot. Bonds3

About N-(1-bromoethyl)-N-ethenylpropanimidamide

N-(1-bromoethyl)-N-ethenylpropanimidamide (PubChem CID 146638836) has the molecular formula C7H13BrN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is N-(1-bromoethyl)-N-ethenylpropanimidamide.

Molecular Properties

Compound NameN-(1-bromoethyl)-N-ethenylpropanimidamide
PubChem CID146638836
Molecular FormulaC7H13BrN2
Molecular Weight205.10 g/mol
Exact Mass204.03
IUPAC NameN-(1-bromoethyl)-N-ethenylpropanimidamide
SMILES[H]/N=C(\CC)N(C=C)C(C)Br
InChIInChI=1S/C7H13BrN2/c1-4-7(9)10(5-2)6(3)8/h5-6,9H,2,4H2,1,3H3/b9-7+
InChIKeyIWSDMQMAYKNWSA-VQHVLOKHSA-N
XLogP2.56
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-N-propan-2-ylpropanimidamide
CID 146638834
N-butan-2-yl-N-butylpropanimidamide
CID 63177436
N-(2,2-dimethylpropyl)-N-methylpropanimidamide
CID 63177754
N-amino-N-methylpropanimidamide
CID 123454598
N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide
CID 135276889
N-ethenyl-N-propan-2-ylbutanamide
CID 87389097
N,N-diethyl-4-methylpentanimidamide
CID 63179219
N-methyl-N-propylpropanimidamide
CID 63176074
N-ethyl-N-(methyliminomethyl)propanimidamide
CID 131979243
5-methyloct-1-en-3-imine
CID 163230463
N'-ethenyl-N'-propan-2-ylpentanediamide
CID 59324613
N-methyl-N-prop-2-ynylpropanimidamide
CID 143160706

Frequently Asked Questions

What is the IUPAC name of N-(1-bromoethyl)-N-ethenylpropanimidamide?
The IUPAC name of N-(1-bromoethyl)-N-ethenylpropanimidamide (CID 146638836) is N-(1-bromoethyl)-N-ethenylpropanimidamide.
What is the SMILES notation for N-(1-bromoethyl)-N-ethenylpropanimidamide?
The canonical SMILES for N-(1-bromoethyl)-N-ethenylpropanimidamide is [H]/N=C(\CC)N(C=C)C(C)Br.
What is the InChIKey of N-(1-bromoethyl)-N-ethenylpropanimidamide?
The InChIKey is IWSDMQMAYKNWSA-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H13BrN2/c1-4-7(9)10(5-2)6(3)8/h5-6,9H,2,4H2,1,3H3/b9-7+.
What are the key properties of N-(1-bromoethyl)-N-ethenylpropanimidamide?
N-(1-bromoethyl)-N-ethenylpropanimidamide has a molecular weight of 205.10 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromoethyl)-N-ethenylpropanimidamide is sourced from PubChem (CID 146638836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).