N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine

C8H15Cl2N — CID 60669420

IUPACN-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine
SMILESCCCCNCC1CC1(Cl)Cl
InChIInChI=1S/C8H15Cl2N/c1-2-3-4-11-6-7-5-8(7,9)10/h7,11H,2-6H2,1H3
InChIKeyYOAVDCQLDWXEKZ-UHFFFAOYSA-N
MW196.12 g/mol
LogP2.57
Rot. Bonds5

About N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine

N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine (PubChem CID 60669420) has the molecular formula C8H15Cl2N and a molecular weight of 196.12 g/mol. Its IUPAC name is N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine
PubChem CID60669420
Molecular FormulaC8H15Cl2N
Molecular Weight196.12 g/mol
Exact Mass195.06
IUPAC NameN-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine
SMILESCCCCNCC1CC1(Cl)Cl
InChIInChI=1S/C8H15Cl2N/c1-2-3-4-11-6-7-5-8(7,9)10/h7,11H,2-6H2,1H3
InChIKeyYOAVDCQLDWXEKZ-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine?
The IUPAC name of N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine (CID 60669420) is N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine?
The canonical SMILES for N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine is CCCCNCC1CC1(Cl)Cl.
What is the InChIKey of N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine?
The InChIKey is YOAVDCQLDWXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2N/c1-2-3-4-11-6-7-5-8(7,9)10/h7,11H,2-6H2,1H3.
What are the key properties of N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine?
N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine has a molecular weight of 196.12 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dichlorocyclopropyl)methyl]butan-1-amine is sourced from PubChem (CID 60669420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).