N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine

C13H23N — CID 70067202

IUPACN-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine
SMILESCCCNC1CCCC2CCCC=C21
InChIInChI=1S/C13H23N/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h8,11,13-14H,2-7,9-10H2,1H3
InChIKeyKHWMMBJXVHWOKU-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.27
Rot. Bonds3

About N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine

N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine (PubChem CID 70067202) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine
PubChem CID70067202
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine
SMILESCCCNC1CCCC2CCCC=C21
InChIInChI=1S/C13H23N/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h8,11,13-14H,2-7,9-10H2,1H3
InChIKeyKHWMMBJXVHWOKU-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine?
The IUPAC name of N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine (CID 70067202) is N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine.
What is the SMILES notation for N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine?
The canonical SMILES for N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine is CCCNC1CCCC2CCCC=C21.
What is the InChIKey of N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine?
The InChIKey is KHWMMBJXVHWOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13/h8,11,13-14H,2-7,9-10H2,1H3.
What are the key properties of N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine?
N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine is sourced from PubChem (CID 70067202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).