4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine

C14H30N2 — CID 61044364

IUPAC4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
SMILESCC(C)CCCNC(C)C1CCCN(C)C1
InChIInChI=1S/C14H30N2/c1-12(2)7-5-9-15-13(3)14-8-6-10-16(4)11-14/h12-15H,5-11H2,1-4H3
InChIKeyLAJNPAQTKDTMCZ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine

4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine (PubChem CID 61044364) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
PubChem CID61044364
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
SMILESCC(C)CCCNC(C)C1CCCN(C)C1
InChIInChI=1S/C14H30N2/c1-12(2)7-5-9-15-13(3)14-8-6-10-16(4)11-14/h12-15H,5-11H2,1-4H3
InChIKeyLAJNPAQTKDTMCZ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
N-[1-(1-methylpiperidin-3-yl)ethyl]hex-5-yn-1-amine
CID 103903615
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N-[3-[1-(1-methylpiperidin-3-yl)ethylamino]propyl]methanesulfonamide
CID 103776667
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine
CID 43751567
1-(1-methylpiperidin-3-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917113
N,N-dimethyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]ethanesulfonamide
CID 106334875
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
CID 114615500
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 107094221

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine (CID 61044364) is 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine is CC(C)CCCNC(C)C1CCCN(C)C1.
What is the InChIKey of 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine?
The InChIKey is LAJNPAQTKDTMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)7-5-9-15-13(3)14-8-6-10-16(4)11-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine?
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 61044364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).