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

C16H31NO — CID 43223210

IUPACN-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(C)OCCCNC1CCC2CCCCC2C1
InChIInChI=1S/C16H31NO/c1-13(2)18-11-5-10-17-16-9-8-14-6-3-4-7-15(14)12-16/h13-17H,3-12H2,1-2H3
InChIKeySKAHTVPCNDTOAX-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds6

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

N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43223210) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43223210
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(C)OCCCNC1CCC2CCCCC2C1
InChIInChI=1S/C16H31NO/c1-13(2)18-11-5-10-17-16-9-8-14-6-3-4-7-15(14)12-16/h13-17H,3-12H2,1-2H3
InChIKeySKAHTVPCNDTOAX-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
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-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43223210) is N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC(C)OCCCNC1CCC2CCCCC2C1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is SKAHTVPCNDTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)18-11-5-10-17-16-9-8-14-6-3-4-7-15(14)12-16/h13-17H,3-12H2,1-2H3.
What are the key properties of N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43223210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).