N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C19H30N2 — CID 106624967

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCc1ccc(C(C)N(CC2CCCNC2)C2CC2)cc1C
InChIInChI=1S/C19H30N2/c1-14-6-7-18(11-15(14)2)16(3)21(19-8-9-19)13-17-5-4-10-20-12-17/h6-7,11,16-17,19-20H,4-5,8-10,12-13H2,1-3H3
InChIKeyCCYIQOQJYLHPLK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106624967) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106624967
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCc1ccc(C(C)N(CC2CCCNC2)C2CC2)cc1C
InChIInChI=1S/C19H30N2/c1-14-6-7-18(11-15(14)2)16(3)21(19-8-9-19)13-17-5-4-10-20-12-17/h6-7,11,16-17,19-20H,4-5,8-10,12-13H2,1-3H3
InChIKeyCCYIQOQJYLHPLK-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624965
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 106624840
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624899
N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 106625018
4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
N-ethyl-1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106624697
3-ethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106624200
N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624124
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624190

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106624967) is N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is Cc1ccc(C(C)N(CC2CCCNC2)C2CC2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is CCYIQOQJYLHPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-6-7-18(11-15(14)2)16(3)21(19-8-9-19)13-17-5-4-10-20-12-17/h6-7,11,16-17,19-20H,4-5,8-10,12-13H2,1-3H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 286.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106624967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).