N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine

C14H28N2 — CID 103902104

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NCC1CC1(C)C)C1CCCN(C)C1
InChIInChI=1S/C14H28N2/c1-11(12-6-5-7-16(4)10-12)15-9-13-8-14(13,2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyYBSKPSIIWWBUIY-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.35
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine

N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 103902104) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID103902104
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(NCC1CC1(C)C)C1CCCN(C)C1
InChIInChI=1S/C14H28N2/c1-11(12-6-5-7-16(4)10-12)15-9-13-8-14(13,2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyYBSKPSIIWWBUIY-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
CID 114615500
3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine
CID 115923462
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine
CID 61210795
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 114168984
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
CID 103522776
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 103902104) is N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine is CC(NCC1CC1(C)C)C1CCCN(C)C1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is YBSKPSIIWWBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(12-6-5-7-16(4)10-12)15-9-13-8-14(13,2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 224.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 103902104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).