N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C13H23N — CID 43222832

IUPACN-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC=CCNC1CCC2CCCCC2C1
InChIInChI=1S/C13H23N/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h2,11-14H,1,3-10H2
InChIKeyFXFPDRDINPBPKQ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.12
Rot. Bonds3

About N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43222832) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43222832
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC=CCNC1CCC2CCCCC2C1
InChIInChI=1S/C13H23N/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h2,11-14H,1,3-10H2
InChIKeyFXFPDRDINPBPKQ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43222832) is N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C=CCNC1CCC2CCCCC2C1.
What is the InChIKey of N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is FXFPDRDINPBPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h2,11-14H,1,3-10H2.
What are the key properties of N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43222832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).