N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine

C17H29N — CID 104987277

IUPACN-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine
SMILESC=CCCC(NC)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C17H29N/c1-4-5-6-15(18-3)17-10-13-7-14(11-17)9-16(2,8-13)12-17/h4,13-15,18H,1,5-12H2,2-3H3
InChIKeyZTIUVZOOBCFQGH-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine

N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine (PubChem CID 104987277) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine
PubChem CID104987277
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine
SMILESC=CCCC(NC)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C17H29N/c1-4-5-6-15(18-3)17-10-13-7-14(11-17)9-16(2,8-13)12-17/h4,13-15,18H,1,5-12H2,2-3H3
InChIKeyZTIUVZOOBCFQGH-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.15
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-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine?
The IUPAC name of N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine (CID 104987277) is N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine?
The canonical SMILES for N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine is C=CCCC(NC)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine?
The InChIKey is ZTIUVZOOBCFQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-5-6-15(18-3)17-10-13-7-14(11-17)9-16(2,8-13)12-17/h4,13-15,18H,1,5-12H2,2-3H3.
What are the key properties of N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine?
N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-1-adamantyl)pent-4-en-1-amine is sourced from PubChem (CID 104987277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).