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

C15H29NO — CID 43223018

IUPACN-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCOCCCNC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO/c1-2-17-11-5-10-16-15-9-8-13-6-3-4-7-14(13)12-15/h13-16H,2-12H2,1H3
InChIKeyZIDMGEKMLISWMU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

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

N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43223018) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43223018
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCCOCCCNC1CCC2CCCCC2C1
InChIInChI=1S/C15H29NO/c1-2-17-11-5-10-16-15-9-8-13-6-3-4-7-14(13)12-15/h13-16H,2-12H2,1H3
InChIKeyZIDMGEKMLISWMU-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
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-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43223018) is N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CCOCCCNC1CCC2CCCCC2C1.
What is the InChIKey of N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is ZIDMGEKMLISWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-17-11-5-10-16-15-9-8-13-6-3-4-7-14(13)12-15/h13-16H,2-12H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43223018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).