N-heptyladamantan-2-amine

C17H31N — CID 43223214

IUPACN-heptyladamantan-2-amine
SMILESCCCCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-2-3-4-5-6-7-18-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-18H,2-12H2,1H3
InChIKeyAKZIPORCFGMOCA-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.37
Rot. Bonds7

About N-heptyladamantan-2-amine

N-heptyladamantan-2-amine (PubChem CID 43223214) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-heptyladamantan-2-amine.

Molecular Properties

Compound NameN-heptyladamantan-2-amine
PubChem CID43223214
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-heptyladamantan-2-amine
SMILESCCCCCCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31N/c1-2-3-4-5-6-7-18-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-18H,2-12H2,1H3
InChIKeyAKZIPORCFGMOCA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-heptyladamantan-2-amine?
The IUPAC name of N-heptyladamantan-2-amine (CID 43223214) is N-heptyladamantan-2-amine.
What is the SMILES notation for N-heptyladamantan-2-amine?
The canonical SMILES for N-heptyladamantan-2-amine is CCCCCCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-heptyladamantan-2-amine?
The InChIKey is AKZIPORCFGMOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-2-3-4-5-6-7-18-17-15-9-13-8-14(11-15)12-16(17)10-13/h13-18H,2-12H2,1H3.
What are the key properties of N-heptyladamantan-2-amine?
N-heptyladamantan-2-amine has a molecular weight of 249.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyladamantan-2-amine is sourced from PubChem (CID 43223214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).