4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine

C23H46N2 — CID 139388899

IUPAC4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CC(CCCC2CC(C)C(N)C(C(C)C)C2)CC(C)C1N
InChIInChI=1S/C23H46N2/c1-14(2)20-12-18(10-16(5)22(20)24)8-7-9-19-11-17(6)23(25)21(13-19)15(3)4/h14-23H,7-13,24-25H2,1-6H3
InChIKeyMZDITPWSZAFRSK-UHFFFAOYSA-N
MW350.64 g/mol
LogP5.45
Rot. Bonds6

About 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine

4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine (PubChem CID 139388899) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine
PubChem CID139388899
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CC(CCCC2CC(C)C(N)C(C(C)C)C2)CC(C)C1N
InChIInChI=1S/C23H46N2/c1-14(2)20-12-18(10-16(5)22(20)24)8-7-9-19-11-17(6)23(25)21(13-19)15(3)4/h14-23H,7-13,24-25H2,1-6H3
InChIKeyMZDITPWSZAFRSK-UHFFFAOYSA-N
XLogP5.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine (CID 139388899) is 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine is CC(C)C1CC(CCCC2CC(C)C(N)C(C(C)C)C2)CC(C)C1N.
What is the InChIKey of 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine?
The InChIKey is MZDITPWSZAFRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-14(2)20-12-18(10-16(5)22(20)24)8-7-9-19-11-17(6)23(25)21(13-19)15(3)4/h14-23H,7-13,24-25H2,1-6H3.
What are the key properties of 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine?
4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine has a molecular weight of 350.64 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-amino-3-methyl-5-propan-2-ylcyclohexyl)propyl]-2-methyl-6-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 139388899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).