[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine

C16H26N2 — CID 102814059

IUPAC[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
SMILESCC(C)C1CCCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)15-6-4-9-18(10-8-15)16-7-3-5-14(11-16)12-17/h3,5,7,11,13,15H,4,6,8-10,12,17H2,1-2H3
InChIKeyRCLGOCMDWYSDSJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.41
Rot. Bonds3

About [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine

[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine (PubChem CID 102814059) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
PubChem CID102814059
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
SMILESCC(C)C1CCCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C16H26N2/c1-13(2)15-6-4-9-18(10-8-15)16-7-3-5-14(11-16)12-17/h3,5,7,11,13,15H,4,6,8-10,12,17H2,1-2H3
InChIKeyRCLGOCMDWYSDSJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
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[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
1-(3-ethylphenyl)-N-methylpiperidin-4-amine
CID 43315435
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
[3-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 113418166
N-[[3-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]cyclopropanamine
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Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine?
The IUPAC name of [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine (CID 102814059) is [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine is CC(C)C1CCCN(c2cccc(CN)c2)CC1.
What is the InChIKey of [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine?
The InChIKey is RCLGOCMDWYSDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)15-6-4-9-18(10-8-15)16-7-3-5-14(11-16)12-17/h3,5,7,11,13,15H,4,6,8-10,12,17H2,1-2H3.
What are the key properties of [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine?
[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine is sourced from PubChem (CID 102814059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).