4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine

C16H34N2O — CID 103391933

IUPAC4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine
SMILESCOCC(CCCN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-16(2,3)14-7-6-11-18(12-9-14)15(13-19-4)8-5-10-17/h14-15H,5-13,17H2,1-4H3
InChIKeyNIWVGNKSWCESAK-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds6

About 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine

4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine (PubChem CID 103391933) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine
PubChem CID103391933
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine
SMILESCOCC(CCCN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-16(2,3)14-7-6-11-18(12-9-14)15(13-19-4)8-5-10-17/h14-15H,5-13,17H2,1-4H3
InChIKeyNIWVGNKSWCESAK-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine?
The IUPAC name of 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine (CID 103391933) is 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine?
The canonical SMILES for 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine is COCC(CCCN)N1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine?
The InChIKey is NIWVGNKSWCESAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-16(2,3)14-7-6-11-18(12-9-14)15(13-19-4)8-5-10-17/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine?
4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylazepan-1-yl)-5-methoxypentan-1-amine is sourced from PubChem (CID 103391933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).