N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine

C18H30N2 — CID 43760694

IUPACN-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCc1cccc(C(C)NCCCN2CCCCC2C)c1
InChIInChI=1S/C18H30N2/c1-15-8-6-10-18(14-15)17(3)19-11-7-13-20-12-5-4-9-16(20)2/h6,8,10,14,16-17,19H,4-5,7,9,11-13H2,1-3H3
InChIKeySTIGOBVCIFICMA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine

N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 43760694) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID43760694
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCc1cccc(C(C)NCCCN2CCCCC2C)c1
InChIInChI=1S/C18H30N2/c1-15-8-6-10-18(14-15)17(3)19-11-7-13-20-12-5-4-9-16(20)2/h6,8,10,14,16-17,19H,4-5,7,9,11-13H2,1-3H3
InChIKeySTIGOBVCIFICMA-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
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-(3-bromophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43193187
N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43080661
3-(2-methylpiperidin-1-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 43193227
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 114871000
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363930
1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60600235
1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43095992
5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 43760694) is N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is Cc1cccc(C(C)NCCCN2CCCCC2C)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is STIGOBVCIFICMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-8-6-10-18(14-15)17(3)19-11-7-13-20-12-5-4-9-16(20)2/h6,8,10,14,16-17,19H,4-5,7,9,11-13H2,1-3H3.
What are the key properties of N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 43760694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).