N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine

C18H28N2 — CID 63626845

IUPACN-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine
SMILESCC1CCCN(C(CNC2CC2)c2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-15-6-5-12-20(13-11-15)18(14-19-17-9-10-17)16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyPDBMAVMLKQLDLZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine

N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine (PubChem CID 63626845) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine
PubChem CID63626845
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine
SMILESCC1CCCN(C(CNC2CC2)c2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-15-6-5-12-20(13-11-15)18(14-19-17-9-10-17)16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyPDBMAVMLKQLDLZ-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-cyclopropylpiperazin-1-yl)-2-phenylethyl]cyclopropanamine
CID 62413117
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine
CID 62430463
N-[2-(azepan-1-yl)-2-phenylethyl]-1-methylsulfonylpiperidin-4-amine
CID 56708957
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
CID 115562211
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propane-1-sulfonamide
CID 75765827
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
CID 47068811
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047
N-[2-(3-methylmorpholin-4-yl)-2-phenylethyl]cyclopropanamine
CID 55074560
N-[2-(4-methylazepan-1-yl)propyl]cyclohexanamine
CID 63627376
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine (CID 63626845) is N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine is CC1CCCN(C(CNC2CC2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine?
The InChIKey is PDBMAVMLKQLDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-6-5-12-20(13-11-15)18(14-19-17-9-10-17)16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3.
What are the key properties of N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine?
N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylazepan-1-yl)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 63626845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).