3,5-dimethyl-N-prop-2-ynyladamantan-1-amine

C15H23N — CID 4724203

IUPAC3,5-dimethyl-N-prop-2-ynyladamantan-1-amine
SMILESC#CCNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H23N/c1-4-5-16-15-8-12-6-13(2,10-15)9-14(3,7-12)11-15/h1,12,16H,5-11H2,2-3H3
InChIKeyGUUJCCYXIPFURY-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.96
Rot. Bonds2

About 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine

3,5-dimethyl-N-prop-2-ynyladamantan-1-amine (PubChem CID 4724203) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-prop-2-ynyladamantan-1-amine
PubChem CID4724203
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3,5-dimethyl-N-prop-2-ynyladamantan-1-amine
SMILESC#CCNC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C15H23N/c1-4-5-16-15-8-12-6-13(2,10-15)9-14(3,7-12)11-15/h1,12,16H,5-11H2,2-3H3
InChIKeyGUUJCCYXIPFURY-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-3,5-dimethyladamantan-1-amine
CID 79998469
1-[(3,5-dimethyl-1-adamantyl)amino]propan-2-ol
CID 79997666
2-[1-[[(3,5-dimethyl-1-adamantyl)amino]methyl]cyclopropyl]acetonitrile
CID 79998720
3,5-dimethyl-N-(2-methylbutyl)adamantan-1-amine
CID 79999123
N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine
CID 107445843
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)adamantan-1-amine
CID 79999567
N-(2,3-dichloroprop-2-enyl)-3,5-dimethyladamantan-1-amine
CID 79997830
N-tert-butyl-3,5-dimethyladamantan-1-amine
CID 59574547
N-benzyl-3,5-dimethyladamantan-1-amine
CID 4721832
3,5-dimethyl-N-pent-4-enyladamantan-1-amine
CID 79999138
5-[(3,5-dimethyl-1-adamantyl)amino]-2,2-dimethylpentanenitrile
CID 79999358
3,5-dimethyl-N-[2-(2-methylpropoxy)ethyl]adamantan-1-amine
CID 106452215

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine?
The IUPAC name of 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine (CID 4724203) is 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine is C#CCNC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine?
The InChIKey is GUUJCCYXIPFURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-5-16-15-8-12-6-13(2,10-15)9-14(3,7-12)11-15/h1,12,16H,5-11H2,2-3H3.
What are the key properties of 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine?
3,5-dimethyl-N-prop-2-ynyladamantan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-prop-2-ynyladamantan-1-amine is sourced from PubChem (CID 4724203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).