N-chloro-N-(cyclopropylmethyl)propan-1-amine

C7H14ClN — CID 20769293

IUPACN-chloro-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(Cl)CC1CC1
InChIInChI=1S/C7H14ClN/c1-2-5-9(8)6-7-3-4-7/h7H,2-6H2,1H3
InChIKeyOWYWWBGYAZMKOQ-UHFFFAOYSA-N
MW147.65 g/mol
LogP2.26
Rot. Bonds4

About N-chloro-N-(cyclopropylmethyl)propan-1-amine

N-chloro-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 20769293) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is N-chloro-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-chloro-N-(cyclopropylmethyl)propan-1-amine
PubChem CID20769293
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC NameN-chloro-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(Cl)CC1CC1
InChIInChI=1S/C7H14ClN/c1-2-5-9(8)6-7-3-4-7/h7H,2-6H2,1H3
InChIKeyOWYWWBGYAZMKOQ-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of N-chloro-N-(cyclopropylmethyl)propan-1-amine (CID 20769293) is N-chloro-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for N-chloro-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for N-chloro-N-(cyclopropylmethyl)propan-1-amine is CCCN(Cl)CC1CC1.
What is the InChIKey of N-chloro-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is OWYWWBGYAZMKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN/c1-2-5-9(8)6-7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of N-chloro-N-(cyclopropylmethyl)propan-1-amine?
N-chloro-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 147.65 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 20769293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).