[3-(4-tert-butylazepan-1-yl)phenyl]methanamine

C17H28N2 — CID 102814062

IUPAC[3-(4-tert-butylazepan-1-yl)phenyl]methanamine
SMILESCC(C)(C)C1CCCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-7-5-10-19(11-9-15)16-8-4-6-14(12-16)13-18/h4,6,8,12,15H,5,7,9-11,13,18H2,1-3H3
InChIKeyQVNHSLXOJNTWNJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.80
Rot. Bonds2

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

[3-(4-tert-butylazepan-1-yl)phenyl]methanamine (PubChem CID 102814062) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [3-(4-tert-butylazepan-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylazepan-1-yl)phenyl]methanamine
PubChem CID102814062
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[3-(4-tert-butylazepan-1-yl)phenyl]methanamine
SMILESCC(C)(C)C1CCCN(c2cccc(CN)c2)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-7-5-10-19(11-9-15)16-8-4-6-14(12-16)13-18/h4,6,8,12,15H,5,7,9-11,13,18H2,1-3H3
InChIKeyQVNHSLXOJNTWNJ-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-propylazepan-1-yl)phenyl]methanamine
CID 102814056
[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
4-(4-tert-butylazepan-1-yl)benzene-1,2-diamine
CID 106750874
[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 115025964
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
4-tert-butyl-1-phenylpiperidine
CID 612454
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62298748
N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
CID 102814279
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
4-(4-tert-butylazepan-1-yl)-2-methylbenzenecarbothioamide
CID 81268147
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylazepan-1-yl)phenyl]methanamine?
The IUPAC name of [3-(4-tert-butylazepan-1-yl)phenyl]methanamine (CID 102814062) is [3-(4-tert-butylazepan-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-(4-tert-butylazepan-1-yl)phenyl]methanamine?
The canonical SMILES for [3-(4-tert-butylazepan-1-yl)phenyl]methanamine is CC(C)(C)C1CCCN(c2cccc(CN)c2)CC1.
What is the InChIKey of [3-(4-tert-butylazepan-1-yl)phenyl]methanamine?
The InChIKey is QVNHSLXOJNTWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)15-7-5-10-19(11-9-15)16-8-4-6-14(12-16)13-18/h4,6,8,12,15H,5,7,9-11,13,18H2,1-3H3.
What are the key properties of [3-(4-tert-butylazepan-1-yl)phenyl]methanamine?
[3-(4-tert-butylazepan-1-yl)phenyl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylazepan-1-yl)phenyl]methanamine is sourced from PubChem (CID 102814062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).