N-decan-4-ylcyclohexanamine

C16H33N — CID 175237913

IUPACN-decan-4-ylcyclohexanamine
SMILESCCCCCCC(CCC)NC1CCCCC1
InChIInChI=1S/C16H33N/c1-3-5-6-8-12-15(11-4-2)17-16-13-9-7-10-14-16/h15-17H,3-14H2,1-2H3
InChIKeyXFEAKKKWSMEZLG-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.05
Rot. Bonds9

About N-decan-4-ylcyclohexanamine

N-decan-4-ylcyclohexanamine (PubChem CID 175237913) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-decan-4-ylcyclohexanamine.

Molecular Properties

Compound NameN-decan-4-ylcyclohexanamine
PubChem CID175237913
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-decan-4-ylcyclohexanamine
SMILESCCCCCCC(CCC)NC1CCCCC1
InChIInChI=1S/C16H33N/c1-3-5-6-8-12-15(11-4-2)17-16-13-9-7-10-14-16/h15-17H,3-14H2,1-2H3
InChIKeyXFEAKKKWSMEZLG-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.05
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

N-nonan-2-ylcyclohexanamine
CID 43129679
1-N'-cycloheptylheptane-1,1-diamine
CID 135361664
N-octan-2-ylcyclohexanamine
CID 13244945
N-heptan-2-ylcycloheptanamine
CID 43082272
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
2-N-cyclopropyloctane-1,2-diamine
CID 62069624
1-methyl-N-octan-4-ylazepan-4-amine
CID 113340340
2-(cyclohexylamino)nonanenitrile
CID 54894188
1-methyl-N-octan-4-ylpiperidin-4-amine
CID 103776296
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
N-octan-4-yl-4-propylcyclohexan-1-amine
CID 114138056
N-octan-4-yl-1,1-dioxothian-4-amine
CID 106023054

Frequently Asked Questions

What is the IUPAC name of N-decan-4-ylcyclohexanamine?
The IUPAC name of N-decan-4-ylcyclohexanamine (CID 175237913) is N-decan-4-ylcyclohexanamine.
What is the SMILES notation for N-decan-4-ylcyclohexanamine?
The canonical SMILES for N-decan-4-ylcyclohexanamine is CCCCCCC(CCC)NC1CCCCC1.
What is the InChIKey of N-decan-4-ylcyclohexanamine?
The InChIKey is XFEAKKKWSMEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-6-8-12-15(11-4-2)17-16-13-9-7-10-14-16/h15-17H,3-14H2,1-2H3.
What are the key properties of N-decan-4-ylcyclohexanamine?
N-decan-4-ylcyclohexanamine has a molecular weight of 239.45 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decan-4-ylcyclohexanamine is sourced from PubChem (CID 175237913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).