N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine

C19H30N2 — CID 104690769

IUPACN-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
SMILESCCC1CCCCCN1c1ccc(CNC2CC2)c(C)c1
InChIInChI=1S/C19H30N2/c1-3-18-7-5-4-6-12-21(18)19-11-8-16(15(2)13-19)14-20-17-9-10-17/h8,11,13,17-18,20H,3-7,9-10,12,14H2,1-2H3
InChIKeyILVNNKYNYIDZBY-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.41
Rot. Bonds5

About N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine

N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 104690769) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
PubChem CID104690769
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
SMILESCCC1CCCCCN1c1ccc(CNC2CC2)c(C)c1
InChIInChI=1S/C19H30N2/c1-3-18-7-5-4-6-12-21(18)19-11-8-16(15(2)13-19)14-20-17-9-10-17/h8,11,13,17-18,20H,3-7,9-10,12,14H2,1-2H3
InChIKeyILVNNKYNYIDZBY-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
N-[[4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 54885642
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635458
4-(2-ethylazepan-1-yl)-2-methylbenzaldehyde
CID 104690453
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 62134031
N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074483
4-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666
4-(2-ethylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 81275990
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine (CID 104690769) is N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine is CCC1CCCCCN1c1ccc(CNC2CC2)c(C)c1.
What is the InChIKey of N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is ILVNNKYNYIDZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-18-7-5-4-6-12-21(18)19-11-8-16(15(2)13-19)14-20-17-9-10-17/h8,11,13,17-18,20H,3-7,9-10,12,14H2,1-2H3.
What are the key properties of N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine has a molecular weight of 286.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 104690769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).