N-(2-tert-butylphenyl)-1-propylazepan-4-amine

C19H32N2 — CID 65074700

IUPACN-(2-tert-butylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H32N2/c1-5-13-21-14-8-9-16(12-15-21)20-18-11-7-6-10-17(18)19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-15H2,1-4H3
InChIKeyMVDFIANNSWSUDW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.66
Rot. Bonds4

About N-(2-tert-butylphenyl)-1-propylazepan-4-amine

N-(2-tert-butylphenyl)-1-propylazepan-4-amine (PubChem CID 65074700) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-propylazepan-4-amine
PubChem CID65074700
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-(2-tert-butylphenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H32N2/c1-5-13-21-14-8-9-16(12-15-21)20-18-11-7-6-10-17(18)19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-15H2,1-4H3
InChIKeyMVDFIANNSWSUDW-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-propylazepan-4-amine?
The IUPAC name of N-(2-tert-butylphenyl)-1-propylazepan-4-amine (CID 65074700) is N-(2-tert-butylphenyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-propylazepan-4-amine?
The InChIKey is MVDFIANNSWSUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-13-21-14-8-9-16(12-15-21)20-18-11-7-6-10-17(18)19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-15H2,1-4H3.
What are the key properties of N-(2-tert-butylphenyl)-1-propylazepan-4-amine?
N-(2-tert-butylphenyl)-1-propylazepan-4-amine has a molecular weight of 288.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65074700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).