4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine

C23H46N2 — CID 19805682

IUPAC4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CC(C(C)(C)C2CCC(N)C(C(C)(C)C)C2)CCC1N
InChIInChI=1S/C23H46N2/c1-21(2,3)17-13-15(9-11-19(17)24)23(7,8)16-10-12-20(25)18(14-16)22(4,5)6/h15-20H,9-14,24-25H2,1-8H3
InChIKeyIKSRWQCXKRWANC-UHFFFAOYSA-N
MW350.64 g/mol
LogP5.59
Rot. Bonds2

About 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine

4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine (PubChem CID 19805682) has the molecular formula C23H46N2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine
PubChem CID19805682
Molecular FormulaC23H46N2
Molecular Weight350.64 g/mol
Exact Mass350.37
IUPAC Name4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine
SMILESCC(C)(C)C1CC(C(C)(C)C2CCC(N)C(C(C)(C)C)C2)CCC1N
InChIInChI=1S/C23H46N2/c1-21(2,3)17-13-15(9-11-19(17)24)23(7,8)16-10-12-20(25)18(14-16)22(4,5)6/h15-20H,9-14,24-25H2,1-8H3
InChIKeyIKSRWQCXKRWANC-UHFFFAOYSA-N
XLogP5.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.64
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine?
The IUPAC name of 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine (CID 19805682) is 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine is CC(C)(C)C1CC(C(C)(C)C2CCC(N)C(C(C)(C)C)C2)CCC1N.
What is the InChIKey of 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine?
The InChIKey is IKSRWQCXKRWANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2/c1-21(2,3)17-13-15(9-11-19(17)24)23(7,8)16-10-12-20(25)18(14-16)22(4,5)6/h15-20H,9-14,24-25H2,1-8H3.
What are the key properties of 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine?
4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine has a molecular weight of 350.64 g/mol, XLogP of 5.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-3-tert-butylcyclohexyl)propan-2-yl]-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 19805682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).