[3-(4-propylazepan-1-yl)phenyl]methanamine

C16H26N2 — CID 102814056

IUPAC[3-(4-propylazepan-1-yl)phenyl]methanamine
SMILESCCCC1CCCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N2/c1-2-5-14-7-4-10-18(11-9-14)16-8-3-6-15(12-16)13-17/h3,6,8,12,14H,2,4-5,7,9-11,13,17H2,1H3
InChIKeyFLUWWJNXPSDROK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.55
Rot. Bonds4

About [3-(4-propylazepan-1-yl)phenyl]methanamine

[3-(4-propylazepan-1-yl)phenyl]methanamine (PubChem CID 102814056) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [3-(4-propylazepan-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-propylazepan-1-yl)phenyl]methanamine
PubChem CID102814056
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[3-(4-propylazepan-1-yl)phenyl]methanamine
SMILESCCCC1CCCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N2/c1-2-5-14-7-4-10-18(11-9-14)16-8-3-6-15(12-16)13-17/h3,6,8,12,14H,2,4-5,7,9-11,13,17H2,1H3
InChIKeyFLUWWJNXPSDROK-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
[3-(4-tert-butylazepan-1-yl)phenyl]methanamine
CID 102814062
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 115025964
1-[4-methyl-3-(trifluoromethyl)phenyl]-4-propylazepane
CID 162613283
2-bromo-4-(4-propylazepan-1-yl)benzonitrile
CID 107276420
3-[2-(4-propylazepan-1-yl)ethyl]aniline
CID 65348196
2-methyl-4-(4-propylazepan-1-yl)benzonitrile
CID 81282500
2-[2-amino-5-(4-propylazepan-1-yl)phenyl]acetonitrile
CID 102624388
3-fluoro-2-(4-propylazepan-1-yl)aniline
CID 112740498
N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
CID 102814279

Frequently Asked Questions

What is the IUPAC name of [3-(4-propylazepan-1-yl)phenyl]methanamine?
The IUPAC name of [3-(4-propylazepan-1-yl)phenyl]methanamine (CID 102814056) is [3-(4-propylazepan-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(4-propylazepan-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(4-propylazepan-1-yl)phenyl]methanamine is CCCC1CCCN(c2cccc(CN)c2)CC1.
What is the InChIKey of [3-(4-propylazepan-1-yl)phenyl]methanamine?
The InChIKey is FLUWWJNXPSDROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-5-14-7-4-10-18(11-9-14)16-8-3-6-15(12-16)13-17/h3,6,8,12,14H,2,4-5,7,9-11,13,17H2,1H3.
What are the key properties of [3-(4-propylazepan-1-yl)phenyl]methanamine?
[3-(4-propylazepan-1-yl)phenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propylazepan-1-yl)phenyl]methanamine is sourced from PubChem (CID 102814056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).