N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine

C19H36N2 — CID 139890010

IUPACN-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
SMILESCC(C)NCCCC1C2C=CC(C2)C1CCCNC(C)C
InChIInChI=1S/C19H36N2/c1-14(2)20-11-5-7-18-16-9-10-17(13-16)19(18)8-6-12-21-15(3)4/h9-10,14-21H,5-8,11-13H2,1-4H3
InChIKeyXRQCHBGYOOWSBL-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.98
Rot. Bonds10

About N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine

N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine (PubChem CID 139890010) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
PubChem CID139890010
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC NameN-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
SMILESCC(C)NCCCC1C2C=CC(C2)C1CCCNC(C)C
InChIInChI=1S/C19H36N2/c1-14(2)20-11-5-7-18-16-9-10-17(13-16)19(18)8-6-12-21-15(3)4/h9-10,14-21H,5-8,11-13H2,1-4H3
InChIKeyXRQCHBGYOOWSBL-UHFFFAOYSA-N
XLogP3.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine (CID 139890010) is N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine is CC(C)NCCCC1C2C=CC(C2)C1CCCNC(C)C.
What is the InChIKey of N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The InChIKey is XRQCHBGYOOWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-14(2)20-11-5-7-18-16-9-10-17(13-16)19(18)8-6-12-21-15(3)4/h9-10,14-21H,5-8,11-13H2,1-4H3.
What are the key properties of N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[3-[3-(propan-2-ylamino)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine is sourced from PubChem (CID 139890010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).