N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine

C17H26N2 — CID 63624297

IUPACN-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CCCN(c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H26N2/c1-14-3-2-11-19(12-10-14)17-8-4-15(5-9-17)13-18-16-6-7-16/h4-5,8-9,14,16,18H,2-3,6-7,10-13H2,1H3
InChIKeyOIURSULRGGIDSF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.57
Rot. Bonds4

About N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 63624297) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID63624297
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CCCN(c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H26N2/c1-14-3-2-11-19(12-10-14)17-8-4-15(5-9-17)13-18-16-6-7-16/h4-5,8-9,14,16,18H,2-3,6-7,10-13H2,1H3
InChIKeyOIURSULRGGIDSF-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.57
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

N-[[4-(4-methylazepan-1-yl)phenyl]methyl]propan-2-amine
CID 63624296
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 61422129
[4-(4-methylazepan-1-yl)phenyl]methanol
CID 63622804
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
CID 114679392
N-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 43280257
1-[4-[(cyclopropylamino)methyl]phenyl]-4-methylazepan-4-ol
CID 107405481
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982
1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 61462297

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine (CID 63624297) is N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine is CC1CCCN(c2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is OIURSULRGGIDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-3-2-11-19(12-10-14)17-8-4-15(5-9-17)13-18-16-6-7-16/h4-5,8-9,14,16,18H,2-3,6-7,10-13H2,1H3.
What are the key properties of N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63624297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).