N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine

C12H23ClN2 — CID 77010212

IUPACN-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1CC=CCl
InChIInChI=1S/C12H23ClN2/c1-11(2)14-10-12-6-3-4-8-15(12)9-5-7-13/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3
InChIKeyCJTKEQYYSKRQDH-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.59
Rot. Bonds5

About N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine

N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 77010212) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID77010212
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC NameN-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1CC=CCl
InChIInChI=1S/C12H23ClN2/c1-11(2)14-10-12-6-3-4-8-15(12)9-5-7-13/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3
InChIKeyCJTKEQYYSKRQDH-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-but-2-enylpiperidin-2-yl)methyl]propan-2-amine
CID 77010204
[1-(3-chloroprop-2-enyl)piperidin-2-yl]methanamine
CID 76919196
1-[1-(3-chloroprop-2-enyl)piperidin-2-yl]ethanamine
CID 76991003
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
N-[(1-propylpyrrolidin-2-yl)methyl]propan-2-amine
CID 62579817
N-[[1-(2-ethoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62581842
2-methyl-4-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butan-2-ol
CID 79355209
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 63848539
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
(1-but-2-enylpiperidin-2-yl)methanamine
CID 76919198
N-cyclopropyl-N-methyl-2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848709
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine (CID 77010212) is N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCCN1CC=CCl.
What is the InChIKey of N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is CJTKEQYYSKRQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2/c1-11(2)14-10-12-6-3-4-8-15(12)9-5-7-13/h5,7,11-12,14H,3-4,6,8-10H2,1-2H3.
What are the key properties of N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 230.78 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloroprop-2-enyl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 77010212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).