1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine

C20H41N — CID 103961186

IUPAC1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCCCCCCCCCC1(N)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C20H41N/c1-6-7-8-9-10-11-12-13-14-20(21)16-18(2,3)15-19(4,5)17-20/h6-17,21H2,1-5H3
InChIKeyZXKRNLPEZJMFEE-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.45
Rot. Bonds9

About 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine

1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103961186) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103961186
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCCCCCCCCCC1(N)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C20H41N/c1-6-7-8-9-10-11-12-13-14-20(21)16-18(2,3)15-19(4,5)17-20/h6-17,21H2,1-5H3
InChIKeyZXKRNLPEZJMFEE-UHFFFAOYSA-N
XLogP6.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
1-decylcyclopropan-1-amine
CID 66023987
1-pentylcyclopropan-1-amine
CID 66023547
1-heptylcycloheptan-1-amine
CID 63407607
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
4-heptyloxan-4-amine
CID 63220508
1-hexyl-3,4-dimethylcyclohexan-1-amine
CID 64733757
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
2-octyloxiran-2-amine
CID 87096100
1-hexyl-2,2-dimethylcyclopentan-1-amine
CID 79857458

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103961186) is 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine is CCCCCCCCCCC1(N)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is ZXKRNLPEZJMFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-6-7-8-9-10-11-12-13-14-20(21)16-18(2,3)15-19(4,5)17-20/h6-17,21H2,1-5H3.
What are the key properties of 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine?
1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103961186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).