(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine

C9H16ClN — CID 131248446

IUPAC(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/Cl)CC1CCC1
InChIInChI=1S/C9H16ClN/c1-11(7-3-6-10)8-9-4-2-5-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyMCIYAGAVSZWOLY-ZZXKWVIFSA-N
MW173.69 g/mol
LogP2.47
Rot. Bonds4

About (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine

(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine (PubChem CID 131248446) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine
PubChem CID131248446
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/Cl)CC1CCC1
InChIInChI=1S/C9H16ClN/c1-11(7-3-6-10)8-9-4-2-5-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyMCIYAGAVSZWOLY-ZZXKWVIFSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-cyclobutyl-N,N-dimethylmethanamine
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N-(cyclobutylmethyl)-N-methylprop-2-yn-1-amine
CID 62859751
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N-(cyclobutylmethyl)-N-methylformamide
CID 64992887
(Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine
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CID 131245251

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine (CID 131248446) is (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine is CN(C/C=C/Cl)CC1CCC1.
What is the InChIKey of (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine?
The InChIKey is MCIYAGAVSZWOLY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H16ClN/c1-11(7-3-6-10)8-9-4-2-5-9/h3,6,9H,2,4-5,7-8H2,1H3/b6-3+.
What are the key properties of (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine?
(E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine has a molecular weight of 173.69 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-(cyclobutylmethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 131248446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).