6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine

C43H67N3 — CID 70535531

IUPAC6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine
SMILESCC(N)CCCC(C)(C)c1ccc(C(c2ccc(C(C)(C)CCCC(C)N)cc2)c2ccc(C(C)(C)CCCC(C)N)cc2)cc1
InChIInChI=1S/C43H67N3/c1-31(44)13-10-28-41(4,5)37-22-16-34(17-23-37)40(35-18-24-38(25-19-35)42(6,7)29-11-14-32(2)45)36-20-26-39(27-21-36)43(8,9)30-12-15-33(3)46/h16-27,31-33,40H,10-15,28-30,44-46H2,1-9H3
InChIKeySQMQBOKHUSUMGI-UHFFFAOYSA-N
MW626.03 g/mol
LogP10.25
Rot. Bonds18

About 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine

6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine (PubChem CID 70535531) has the molecular formula C43H67N3 and a molecular weight of 626.03 g/mol. Its IUPAC name is 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine.

Molecular Properties

Compound Name6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine
PubChem CID70535531
Molecular FormulaC43H67N3
Molecular Weight626.03 g/mol
Exact Mass625.53
IUPAC Name6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine
SMILESCC(N)CCCC(C)(C)c1ccc(C(c2ccc(C(C)(C)CCCC(C)N)cc2)c2ccc(C(C)(C)CCCC(C)N)cc2)cc1
InChIInChI=1S/C43H67N3/c1-31(44)13-10-28-41(4,5)37-22-16-34(17-23-37)40(35-18-24-38(25-19-35)42(6,7)29-11-14-32(2)45)36-20-26-39(27-21-36)43(8,9)30-12-15-33(3)46/h16-27,31-33,40H,10-15,28-30,44-46H2,1-9H3
InChIKeySQMQBOKHUSUMGI-UHFFFAOYSA-N
XLogP10.25
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.03
LogP ≤ 510.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3,5-bis(6-amino-2-methylheptan-2-yl)phenyl]-6-methylheptan-2-amine
CID 70151483
1-(4-bromo-2-methylbutan-2-yl)-4-propan-2-ylbenzene
CID 79837730
6-amino-2-methylheptane-2-thiol
CID 21432614
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203665
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
4-(2,7,7-trimethyloctan-2-yl)phenol
CID 141467055
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
4-amino-4-[4-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]butanoic acid
CID 117115977

Frequently Asked Questions

What is the IUPAC name of 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine?
The IUPAC name of 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine (CID 70535531) is 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine.
What is the SMILES notation for 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine?
The canonical SMILES for 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine is CC(N)CCCC(C)(C)c1ccc(C(c2ccc(C(C)(C)CCCC(C)N)cc2)c2ccc(C(C)(C)CCCC(C)N)cc2)cc1.
What is the InChIKey of 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine?
The InChIKey is SQMQBOKHUSUMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H67N3/c1-31(44)13-10-28-41(4,5)37-22-16-34(17-23-37)40(35-18-24-38(25-19-35)42(6,7)29-11-14-32(2)45)36-20-26-39(27-21-36)43(8,9)30-12-15-33(3)46/h16-27,31-33,40H,10-15,28-30,44-46H2,1-9H3.
What are the key properties of 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine?
6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine has a molecular weight of 626.03 g/mol, XLogP of 10.25, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[bis[4-(6-amino-2-methylheptan-2-yl)phenyl]methyl]phenyl]-6-methylheptan-2-amine is sourced from PubChem (CID 70535531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).