10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine

C23H48N4 — CID 174822140

IUPAC10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine
SMILESNCCCCCCCCCCC1CCCCC1C1CCCCC1.[H]N=C(N)N
InChIInChI=1S/C22H43N.CH5N3/c23-19-13-6-4-2-1-3-5-8-14-21-17-11-12-18-22(21)20-15-9-7-10-16-20;2-1(3)4/h20-22H,1-19,23H2;(H5,2,3,4)
InChIKeyGRHXZPUWRNHLQR-UHFFFAOYSA-N
MW380.67 g/mol
LogP5.68
Rot. Bonds11

About 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine

10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine (PubChem CID 174822140) has the molecular formula C23H48N4 and a molecular weight of 380.67 g/mol. Its IUPAC name is 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine.

Molecular Properties

Compound Name10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine
PubChem CID174822140
Molecular FormulaC23H48N4
Molecular Weight380.67 g/mol
Exact Mass380.39
IUPAC Name10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine
SMILESNCCCCCCCCCCC1CCCCC1C1CCCCC1.[H]N=C(N)N
InChIInChI=1S/C22H43N.CH5N3/c23-19-13-6-4-2-1-3-5-8-14-21-17-11-12-18-22(21)20-15-9-7-10-16-20;2-1(3)4/h20-22H,1-19,23H2;(H5,2,3,4)
InChIKeyGRHXZPUWRNHLQR-UHFFFAOYSA-N
XLogP5.68
TPSA101.91 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.67
LogP ≤ 55.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

10-(2-cyclohexylcyclohexyl)decan-1-amine
CID 174822141
1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butan-1-ol
CID 89099037
1-(5-ethoxypentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90715549
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
6-cyclohexylhexan-1-amine
CID 19875455
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
5-[2-(5-aminopentyl)cyclopropyl]pentan-1-amine
CID 58260208
4-cyclohexylbutan-1-amine;hydrochloride
CID 67665513
1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;zirconium(4+)
CID 23230200

Frequently Asked Questions

What is the IUPAC name of 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine?
The IUPAC name of 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine (CID 174822140) is 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine.
What is the SMILES notation for 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine?
The canonical SMILES for 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine is NCCCCCCCCCCC1CCCCC1C1CCCCC1.[H]N=C(N)N.
What is the InChIKey of 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine?
The InChIKey is GRHXZPUWRNHLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N.CH5N3/c23-19-13-6-4-2-1-3-5-8-14-21-17-11-12-18-22(21)20-15-9-7-10-16-20;2-1(3)4/h20-22H,1-19,23H2;(H5,2,3,4).
What are the key properties of 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine?
10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine has a molecular weight of 380.67 g/mol, XLogP of 5.68, 11 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-cyclohexylcyclohexyl)decan-1-amine;guanidine is sourced from PubChem (CID 174822140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).