2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine

C8H16ClN — CID 63387305

IUPAC2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine
SMILESCC(Cl)CN(C)CC1CC1
InChIInChI=1S/C8H16ClN/c1-7(9)5-10(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyYCCZPLZPDDDACI-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.96
Rot. Bonds4

About 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine

2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine (PubChem CID 63387305) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine
PubChem CID63387305
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine
SMILESCC(Cl)CN(C)CC1CC1
InChIInChI=1S/C8H16ClN/c1-7(9)5-10(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3
InChIKeyYCCZPLZPDDDACI-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
1-N-(cyclopropylmethyl)-1-N,3-dimethylbutane-1,2-diamine
CID 60985776
1-N-(cyclopropylmethyl)-1-N,3-dimethylpentane-1,2-diamine
CID 60985406
N-(cyclopropylmethyl)-2,2-diethoxy-N-methylethanamine
CID 63618697
1-[cyclopropylmethyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 60983945
3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine
CID 64994702
(2S)-1-N-methyl-1-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 103934675
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
(2R)-1-[bis(cyclopropylmethyl)amino]propan-2-ol
CID 103935199
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine (CID 63387305) is 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine is CC(Cl)CN(C)CC1CC1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine?
The InChIKey is YCCZPLZPDDDACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-7(9)5-10(2)6-8-3-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine?
2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine has a molecular weight of 161.68 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 63387305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).