N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine

C22H43N — CID 18539419

IUPACN-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCCN(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C22H43N/c1-8-23(21-13-17(6)9-11-19(21)15(2)3)22-14-18(7)10-12-20(22)16(4)5/h15-22H,8-14H2,1-7H3
InChIKeyDZWMVPQWULLPEG-UHFFFAOYSA-N
MW321.59 g/mol
LogP6.23
Rot. Bonds5

About N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine

N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 18539419) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID18539419
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC NameN-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCCN(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C22H43N/c1-8-23(21-13-17(6)9-11-19(21)15(2)3)22-14-18(7)10-12-20(22)16(4)5/h15-22H,8-14H2,1-7H3
InChIKeyDZWMVPQWULLPEG-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine (CID 18539419) is N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine is CCN(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C.
What is the InChIKey of N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is DZWMVPQWULLPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-8-23(21-13-17(6)9-11-19(21)15(2)3)22-14-18(7)10-12-20(22)16(4)5/h15-22H,8-14H2,1-7H3.
What are the key properties of N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine?
N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 321.59 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 18539419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).