N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C19H35NO — CID 43225563

IUPACN-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC(OCCCNC2CCC3CCCCC3C2)CC1
InChIInChI=1S/C19H35NO/c1-2-9-19(10-3-1)21-14-6-13-20-18-12-11-16-7-4-5-8-17(16)15-18/h16-20H,1-15H2
InChIKeyNRNBPIWJVYIPEH-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.67
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43225563) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43225563
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC(OCCCNC2CCC3CCCCC3C2)CC1
InChIInChI=1S/C19H35NO/c1-2-9-19(10-3-1)21-14-6-13-20-18-12-11-16-7-4-5-8-17(16)15-18/h16-20H,1-15H2
InChIKeyNRNBPIWJVYIPEH-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43225563) is N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1CCC(OCCCNC2CCC3CCCCC3C2)CC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is NRNBPIWJVYIPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-2-9-19(10-3-1)21-14-6-13-20-18-12-11-16-7-4-5-8-17(16)15-18/h16-20H,1-15H2.
What are the key properties of N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43225563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).