N-prop-2-enyladamantan-1-amine

C13H21N — CID 3010109

IUPACN-prop-2-enyladamantan-1-amine
SMILESC=CCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12,14H,1,3-9H2
InChIKeyQLZNOUKGNJGEMZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.73
Rot. Bonds3

About N-prop-2-enyladamantan-1-amine

N-prop-2-enyladamantan-1-amine (PubChem CID 3010109) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-prop-2-enyladamantan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyladamantan-1-amine
PubChem CID3010109
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-prop-2-enyladamantan-1-amine
SMILESC=CCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12,14H,1,3-9H2
InChIKeyQLZNOUKGNJGEMZ-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.73
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-enyladamantan-1-amine?
The IUPAC name of N-prop-2-enyladamantan-1-amine (CID 3010109) is N-prop-2-enyladamantan-1-amine.
What is the SMILES notation for N-prop-2-enyladamantan-1-amine?
The canonical SMILES for N-prop-2-enyladamantan-1-amine is C=CCNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-prop-2-enyladamantan-1-amine?
The InChIKey is QLZNOUKGNJGEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12,14H,1,3-9H2.
What are the key properties of N-prop-2-enyladamantan-1-amine?
N-prop-2-enyladamantan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyladamantan-1-amine is sourced from PubChem (CID 3010109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).