N-(chloromethyl)cyclobutanamine

C5H10ClN — CID 115262784

IUPACN-(chloromethyl)cyclobutanamine
SMILESClCNC1CCC1
InChIInChI=1S/C5H10ClN/c6-4-7-5-2-1-3-5/h5,7H,1-4H2
InChIKeyOOHMQRQNQBHCFK-UHFFFAOYSA-N
MW119.60 g/mol
LogP1.32
Rot. Bonds2

About N-(chloromethyl)cyclobutanamine

N-(chloromethyl)cyclobutanamine (PubChem CID 115262784) has the molecular formula C5H10ClN and a molecular weight of 119.60 g/mol. Its IUPAC name is N-(chloromethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(chloromethyl)cyclobutanamine
PubChem CID115262784
Molecular FormulaC5H10ClN
Molecular Weight119.60 g/mol
Exact Mass119.05
IUPAC NameN-(chloromethyl)cyclobutanamine
SMILESClCNC1CCC1
InChIInChI=1S/C5H10ClN/c6-4-7-5-2-1-3-5/h5,7H,1-4H2
InChIKeyOOHMQRQNQBHCFK-UHFFFAOYSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.60
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)oxan-4-amine
CID 115262772
N-(2-chloroethyl)cyclooctanamine
CID 18316363
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-[(E)-3-chloroprop-2-enyl]cyclobutanamine
CID 107899885
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-(iodomethyl)cyclopentanamine
CID 126663668
1-chloro-3-(cyclooctylamino)propan-2-ol
CID 10443428
N-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclodecanamine
CID 148546213
N-(iodomethyl)cyclohexanamine
CID 89271682
CID 130216778
CID 130216778

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)cyclobutanamine?
The IUPAC name of N-(chloromethyl)cyclobutanamine (CID 115262784) is N-(chloromethyl)cyclobutanamine.
What is the SMILES notation for N-(chloromethyl)cyclobutanamine?
The canonical SMILES for N-(chloromethyl)cyclobutanamine is ClCNC1CCC1.
What is the InChIKey of N-(chloromethyl)cyclobutanamine?
The InChIKey is OOHMQRQNQBHCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN/c6-4-7-5-2-1-3-5/h5,7H,1-4H2.
What are the key properties of N-(chloromethyl)cyclobutanamine?
N-(chloromethyl)cyclobutanamine has a molecular weight of 119.60 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)cyclobutanamine is sourced from PubChem (CID 115262784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).