3-chloro-N-(cyclopropylmethyl)butan-1-amine

C8H16ClN — CID 65025281

IUPAC3-chloro-N-(cyclopropylmethyl)butan-1-amine
SMILESCC(Cl)CCNCC1CC1
InChIInChI=1S/C8H16ClN/c1-7(9)4-5-10-6-8-2-3-8/h7-8,10H,2-6H2,1H3
InChIKeySTZYTNJYDNBJNJ-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.00
Rot. Bonds5

About 3-chloro-N-(cyclopropylmethyl)butan-1-amine

3-chloro-N-(cyclopropylmethyl)butan-1-amine (PubChem CID 65025281) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 3-chloro-N-(cyclopropylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-chloro-N-(cyclopropylmethyl)butan-1-amine
PubChem CID65025281
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name3-chloro-N-(cyclopropylmethyl)butan-1-amine
SMILESCC(Cl)CCNCC1CC1
InChIInChI=1S/C8H16ClN/c1-7(9)4-5-10-6-8-2-3-8/h7-8,10H,2-6H2,1H3
InChIKeySTZYTNJYDNBJNJ-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.00
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'}

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Related Compounds

4-chloro-N-(cyclopentylmethyl)pentan-1-amine
CID 106122016
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070
4-chloro-N-(cyclohexylmethyl)pentan-1-amine
CID 106122000
1-N-(cyclopropylmethyl)butane-1,3-diamine
CID 61151017
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
2-chloro-N-(cyclobutylmethyl)propan-1-amine
CID 65460459
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
1-N-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
3-chloro-N-ethylbutan-1-amine
CID 65024849
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
N-(cyclopropylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60867294

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclopropylmethyl)butan-1-amine?
The IUPAC name of 3-chloro-N-(cyclopropylmethyl)butan-1-amine (CID 65025281) is 3-chloro-N-(cyclopropylmethyl)butan-1-amine.
What is the SMILES notation for 3-chloro-N-(cyclopropylmethyl)butan-1-amine?
The canonical SMILES for 3-chloro-N-(cyclopropylmethyl)butan-1-amine is CC(Cl)CCNCC1CC1.
What is the InChIKey of 3-chloro-N-(cyclopropylmethyl)butan-1-amine?
The InChIKey is STZYTNJYDNBJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-7(9)4-5-10-6-8-2-3-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-chloro-N-(cyclopropylmethyl)butan-1-amine?
3-chloro-N-(cyclopropylmethyl)butan-1-amine has a molecular weight of 161.68 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclopropylmethyl)butan-1-amine is sourced from PubChem (CID 65025281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).