4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine

C19H34N2 — CID 130368070

IUPAC4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
SMILESCC(CC(C)(C)N)c1ccc(C(C)(C)CC(C)(C)N)cc1
InChIInChI=1S/C19H34N2/c1-14(12-18(4,5)20)15-8-10-16(11-9-15)17(2,3)13-19(6,7)21/h8-11,14H,12-13,20-21H2,1-7H3
InChIKeyGGHJJRYGPPRUDS-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.32
Rot. Bonds6

About 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine

4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine (PubChem CID 130368070) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
PubChem CID130368070
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
SMILESCC(CC(C)(C)N)c1ccc(C(C)(C)CC(C)(C)N)cc1
InChIInChI=1S/C19H34N2/c1-14(12-18(4,5)20)15-8-10-16(11-9-15)17(2,3)13-19(6,7)21/h8-11,14H,12-13,20-21H2,1-7H3
InChIKeyGGHJJRYGPPRUDS-UHFFFAOYSA-N
XLogP4.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
CID 67561114
4-(4-amino-4-methylpentan-2-yl)phenol
CID 83907598
4-(4-fluorophenyl)-2-methylpentan-2-amine
CID 83907847
2,4-dimethyl-4-(4-methylphenyl)pentan-2-amine
CID 71251464
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione
CID 70559199
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-tert-butyl-4-(4-fluoro-4-methylpentan-2-yl)benzene
CID 24974883
1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905015
[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
CID 115168740
1-tert-butyl-4-hept-4-yn-2-ylbenzene
CID 83928757
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine?
The IUPAC name of 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine (CID 130368070) is 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine is CC(CC(C)(C)N)c1ccc(C(C)(C)CC(C)(C)N)cc1.
What is the InChIKey of 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine?
The InChIKey is GGHJJRYGPPRUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-14(12-18(4,5)20)15-8-10-16(11-9-15)17(2,3)13-19(6,7)21/h8-11,14H,12-13,20-21H2,1-7H3.
What are the key properties of 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine?
4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine has a molecular weight of 290.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-amino-4-methylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 130368070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).