4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine

C23H40N2 — CID 23793066

IUPAC4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine
SMILESCCC(CC)CN(Cc1ccc(C(C)(C)C)cc1)C1CCC(N)CC1
InChIInChI=1S/C23H40N2/c1-6-18(7-2)16-25(22-14-12-21(24)13-15-22)17-19-8-10-20(11-9-19)23(3,4)5/h8-11,18,21-22H,6-7,12-17,24H2,1-5H3
InChIKeyNFIYYYTVHZFECD-UHFFFAOYSA-N
MW344.59 g/mol
LogP5.49
Rot. Bonds7

About 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine

4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine (PubChem CID 23793066) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine
PubChem CID23793066
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine
SMILESCCC(CC)CN(Cc1ccc(C(C)(C)C)cc1)C1CCC(N)CC1
InChIInChI=1S/C23H40N2/c1-6-18(7-2)16-25(22-14-12-21(24)13-15-22)17-19-8-10-20(11-9-19)23(3,4)5/h8-11,18,21-22H,6-7,12-17,24H2,1-5H3
InChIKeyNFIYYYTVHZFECD-UHFFFAOYSA-N
XLogP5.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
4-N-(2-methylbutyl)-4-N-[(4-nitrophenyl)methyl]cyclohexane-1,4-diamine
CID 23732317
4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 115149728
[4-[[(4-aminocyclohexyl)-(2-methylpropyl)amino]methyl]phenyl]methylphosphonic acid
CID 23884738
4-[[4-[2-methylbutyl-[(4-nitrophenyl)methyl]amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 23993708
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
4-N-[(4-tert-butylphenyl)methyl]-4-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]cyclohexane-1,4-diamine
CID 23851495
4-N-[(4-bromophenyl)methyl]-4-N-(2,2-diphenylethyl)cyclohexane-1,4-diamine
CID 23939860
4-N-[[4-(methoxymethyl)phenyl]methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113027
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
4-N-[(4-bromo-3-methylphenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115569
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine (CID 23793066) is 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine is CCC(CC)CN(Cc1ccc(C(C)(C)C)cc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine?
The InChIKey is NFIYYYTVHZFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-6-18(7-2)16-25(22-14-12-21(24)13-15-22)17-19-8-10-20(11-9-19)23(3,4)5/h8-11,18,21-22H,6-7,12-17,24H2,1-5H3.
What are the key properties of 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine?
4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine has a molecular weight of 344.59 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 23793066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).