3,5-dimethyl-N-pent-4-enyladamantan-1-amine

C17H29N — CID 79999138

IUPAC3,5-dimethyl-N-pent-4-enyladamantan-1-amine
SMILESC=CCCCNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H29N/c1-4-5-6-7-18-17-10-14-8-15(2,12-17)11-16(3,9-14)13-17/h4,14,18H,1,5-13H2,2-3H3
InChIKeyQODDFAOOVYRXBN-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.29
Rot. Bonds5

About 3,5-dimethyl-N-pent-4-enyladamantan-1-amine

3,5-dimethyl-N-pent-4-enyladamantan-1-amine (PubChem CID 79999138) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-pent-4-enyladamantan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-pent-4-enyladamantan-1-amine
PubChem CID79999138
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3,5-dimethyl-N-pent-4-enyladamantan-1-amine
SMILESC=CCCCNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H29N/c1-4-5-6-7-18-17-10-14-8-15(2,12-17)11-16(3,9-14)13-17/h4,14,18H,1,5-13H2,2-3H3
InChIKeyQODDFAOOVYRXBN-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,5-dimethyl-N-pent-4-enyladamantan-1-amine?
The IUPAC name of 3,5-dimethyl-N-pent-4-enyladamantan-1-amine (CID 79999138) is 3,5-dimethyl-N-pent-4-enyladamantan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-pent-4-enyladamantan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-pent-4-enyladamantan-1-amine is C=CCCCNC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3,5-dimethyl-N-pent-4-enyladamantan-1-amine?
The InChIKey is QODDFAOOVYRXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-5-6-7-18-17-10-14-8-15(2,12-17)11-16(3,9-14)13-17/h4,14,18H,1,5-13H2,2-3H3.
What are the key properties of 3,5-dimethyl-N-pent-4-enyladamantan-1-amine?
3,5-dimethyl-N-pent-4-enyladamantan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-pent-4-enyladamantan-1-amine is sourced from PubChem (CID 79999138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).