1-(2-adamantyl)-N-propylhex-5-yn-1-amine

C19H31N — CID 105033843

IUPAC1-(2-adamantyl)-N-propylhex-5-yn-1-amine
SMILESC#CCCCC(NCCC)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31N/c1-3-5-6-7-18(20-8-4-2)19-16-10-14-9-15(12-16)13-17(19)11-14/h1,14-20H,4-13H2,2H3
InChIKeyIOFBNMRGFIGKNX-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.23
Rot. Bonds7

About 1-(2-adamantyl)-N-propylhex-5-yn-1-amine

1-(2-adamantyl)-N-propylhex-5-yn-1-amine (PubChem CID 105033843) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-propylhex-5-yn-1-amine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-propylhex-5-yn-1-amine
PubChem CID105033843
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2-adamantyl)-N-propylhex-5-yn-1-amine
SMILESC#CCCCC(NCCC)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31N/c1-3-5-6-7-18(20-8-4-2)19-16-10-14-9-15(12-16)13-17(19)11-14/h1,14-20H,4-13H2,2H3
InChIKeyIOFBNMRGFIGKNX-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-N-propylhex-5-yn-1-amine
CID 113374314
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
1-(2-adamantyl)-N-methylhexan-1-amine
CID 115837552
4-methyl-N-propyldec-9-yn-5-amine
CID 105034144
1,1,1-trifluoro-N-propylhept-6-yn-2-amine
CID 105033987
1-(2-adamantyl)octylhydrazine
CID 105293660
1-(2-adamantyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820654
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-yn-3-amine
CID 103312265
1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine
CID 103169441
1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine
CID 115859664
1-(2-adamantyl)-N-ethyl-3-methylbutan-1-amine
CID 115782496
1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
CID 65395607

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-propylhex-5-yn-1-amine?
The IUPAC name of 1-(2-adamantyl)-N-propylhex-5-yn-1-amine (CID 105033843) is 1-(2-adamantyl)-N-propylhex-5-yn-1-amine.
What is the SMILES notation for 1-(2-adamantyl)-N-propylhex-5-yn-1-amine?
The canonical SMILES for 1-(2-adamantyl)-N-propylhex-5-yn-1-amine is C#CCCCC(NCCC)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-propylhex-5-yn-1-amine?
The InChIKey is IOFBNMRGFIGKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-6-7-18(20-8-4-2)19-16-10-14-9-15(12-16)13-17(19)11-14/h1,14-20H,4-13H2,2H3.
What are the key properties of 1-(2-adamantyl)-N-propylhex-5-yn-1-amine?
1-(2-adamantyl)-N-propylhex-5-yn-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-propylhex-5-yn-1-amine is sourced from PubChem (CID 105033843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).