5-chloro-4-methyl-N-prop-2-enylpentan-1-amine

C9H18ClN — CID 106153268

IUPAC5-chloro-4-methyl-N-prop-2-enylpentan-1-amine
SMILESC=CCNCCCC(C)CCl
InChIInChI=1S/C9H18ClN/c1-3-6-11-7-4-5-9(2)8-10/h3,9,11H,1,4-8H2,2H3
InChIKeySGANEYWTUMMSAI-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.42
Rot. Bonds7

About 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine

5-chloro-4-methyl-N-prop-2-enylpentan-1-amine (PubChem CID 106153268) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-N-prop-2-enylpentan-1-amine
PubChem CID106153268
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name5-chloro-4-methyl-N-prop-2-enylpentan-1-amine
SMILESC=CCNCCCC(C)CCl
InChIInChI=1S/C9H18ClN/c1-3-6-11-7-4-5-9(2)8-10/h3,9,11H,1,4-8H2,2H3
InChIKeySGANEYWTUMMSAI-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(prop-2-enylamino)pentan-2-ol
CID 55286599
17-methyl-N-prop-2-enyloctadecan-1-amine
CID 153323392
N-(5-chloro-4-methylpentyl)-N',N'-dimethylethane-1,2-diamine
CID 106153170
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
ethane;N-prop-2-enylpent-4-en-1-amine
CID 144890480
3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
N-prop-2-enyltridecan-1-amine
CID 22467882
5-(hept-6-enylamino)-2-methylpentan-1-ol
CID 106160063
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
1,8-dichloro-2-methyloctane
CID 154320293
tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride
CID 173294003
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine?
The IUPAC name of 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine (CID 106153268) is 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine.
What is the SMILES notation for 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine?
The canonical SMILES for 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine is C=CCNCCCC(C)CCl.
What is the InChIKey of 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine?
The InChIKey is SGANEYWTUMMSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-3-6-11-7-4-5-9(2)8-10/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine?
5-chloro-4-methyl-N-prop-2-enylpentan-1-amine has a molecular weight of 175.70 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-prop-2-enylpentan-1-amine is sourced from PubChem (CID 106153268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).