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

C14H28N2 — CID 63915143

IUPACN-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCCC(C)C1)C1CC1
InChIInChI=1S/C14H28N2/c1-3-8-15-14(13-6-7-13)11-16-9-4-5-12(2)10-16/h12-15H,3-11H2,1-2H3
InChIKeyXCQRKJKPFRCATI-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds6

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

N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine (PubChem CID 63915143) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
PubChem CID63915143
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCCC(C)C1)C1CC1
InChIInChI=1S/C14H28N2/c1-3-8-15-14(13-6-7-13)11-16-9-4-5-12(2)10-16/h12-15H,3-11H2,1-2H3
InChIKeyXCQRKJKPFRCATI-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746159
N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 104958375
N-[1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 104746643
1-cyclohexyl-N-ethyl-2-(4-methylazepan-1-yl)ethanamine
CID 104746295
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
N-ethyl-1-(3-methylpiperidin-1-yl)pentan-2-amine
CID 62041614
1-[2-cyclopropyl-2-(propylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463979
N-[2-(3-ethylpiperidin-1-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104744890
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
N-[1-cyclopropyl-2-(4-ethoxypiperidin-1-yl)ethyl]propan-1-amine
CID 63914310
N-[1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745688
N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745004

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine (CID 63915143) is N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine is CCCNC(CN1CCCC(C)C1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine?
The InChIKey is XCQRKJKPFRCATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-3-8-15-14(13-6-7-13)11-16-9-4-5-12(2)10-16/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63915143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).