3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine

C25H50N4 — CID 91494371

IUPAC3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine
SMILESCC1CC(C(C2CCC(N)C(C)C2)C2(N)CC(C)(C)CC(C)(CN)C2)CCC1N
InChIInChI=1S/C25H50N4/c1-16-10-18(6-8-20(16)27)22(19-7-9-21(28)17(2)11-19)25(29)13-23(3,4)12-24(5,14-25)15-26/h16-22H,6-15,26-29H2,1-5H3
InChIKeyPEUCRFPJONSLTK-UHFFFAOYSA-N
MW406.70 g/mol
LogP4.00
Rot. Bonds4

About 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine

3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine (PubChem CID 91494371) has the molecular formula C25H50N4 and a molecular weight of 406.70 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine
PubChem CID91494371
Molecular FormulaC25H50N4
Molecular Weight406.70 g/mol
Exact Mass406.40
IUPAC Name3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine
SMILESCC1CC(C(C2CCC(N)C(C)C2)C2(N)CC(C)(C)CC(C)(CN)C2)CCC1N
InChIInChI=1S/C25H50N4/c1-16-10-18(6-8-20(16)27)22(19-7-9-21(28)17(2)11-19)25(29)13-23(3,4)12-24(5,14-25)15-26/h16-22H,6-15,26-29H2,1-5H3
InChIKeyPEUCRFPJONSLTK-UHFFFAOYSA-N
XLogP4.00
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.70
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

1-Dodecyladamantan-2-amine
CID 24882641
1-Tetradecyladamantan-2-amine
CID 44457372
1-Octyladamantan-2-amine
CID 44457404
1-Decyladamantan-2-amine
CID 44457405
1-Hexyladamantan-2-amine
CID 44457325
1-Amino-3,5-di-methyl-aminoadamantane
CID 17902025
4-(4-Amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine
CID 13387432
4-[(4-Aminocyclohexyl)methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine
CID 19842580
3,3-Dimethylbicyclo[2.2.2]octan-2-amine
CID 14589652
cis-4-Tert-butyl-cyclohexylamine
CID 176470117
4-[[4-Amino-3,5-di(propan-2-yl)cyclohexyl]methyl]-2,6-di(propan-2-yl)cyclohexan-1-amine
CID 13387414
4-[(4-Amino-3-methyl-5-propan-2-ylcyclohexyl)methyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine
CID 13387416

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine?
The IUPAC name of 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine (CID 91494371) is 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine is CC1CC(C(C2CCC(N)C(C)C2)C2(N)CC(C)(C)CC(C)(CN)C2)CCC1N.
What is the InChIKey of 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine?
The InChIKey is PEUCRFPJONSLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N4/c1-16-10-18(6-8-20(16)27)22(19-7-9-21(28)17(2)11-19)25(29)13-23(3,4)12-24(5,14-25)15-26/h16-22H,6-15,26-29H2,1-5H3.
What are the key properties of 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine?
3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine has a molecular weight of 406.70 g/mol, XLogP of 4.00, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[bis(4-amino-3-methylcyclohexyl)methyl]-3,5,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 91494371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).