N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine

C16H27N — CID 60688565

IUPACN-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-11(2)10-17-12(3)16-7-13-4-14(8-16)6-15(5-13)9-16/h12-15,17H,1,4-10H2,2-3H3
InChIKeyCMVAKXVZWKOKMO-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.76
Rot. Bonds4

About N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine

N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 60688565) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID60688565
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-11(2)10-17-12(3)16-7-13-4-14(8-16)6-15(5-13)9-16/h12-15,17H,1,4-10H2,2-3H3
InChIKeyCMVAKXVZWKOKMO-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.76
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-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine (CID 60688565) is N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CNC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is CMVAKXVZWKOKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-11(2)10-17-12(3)16-7-13-4-14(8-16)6-15(5-13)9-16/h12-15,17H,1,4-10H2,2-3H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine?
N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 60688565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).