1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine

C17H28N2 — CID 175562292

IUPAC1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(N)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-16(2,3)13-5-7-14(8-6-13)17(18)11-9-15(19-4)10-12-17/h5-8,15,19H,9-12,18H2,1-4H3
InChIKeyKBPVJMHHOHVEED-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine

1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 175562292) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID175562292
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(N)(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-16(2,3)13-5-7-14(8-6-13)17(18)11-9-15(19-4)10-12-17/h5-8,15,19H,9-12,18H2,1-4H3
InChIKeyKBPVJMHHOHVEED-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine (CID 175562292) is 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine is CNC1CCC(N)(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is KBPVJMHHOHVEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)13-5-7-14(8-6-13)17(18)11-9-15(19-4)10-12-17/h5-8,15,19H,9-12,18H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine?
1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 175562292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).