2-propyladamantan-1-amine

C13H23N — CID 70624849

IUPAC2-propyladamantan-1-amine
SMILESCCCC1C2CC3CC(C2)CC1(N)C3
InChIInChI=1S/C13H23N/c1-2-3-12-11-5-9-4-10(6-11)8-13(12,14)7-9/h9-12H,2-8,14H2,1H3
InChIKeyZZTRNWMVCKAPEH-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds2

About 2-propyladamantan-1-amine

2-propyladamantan-1-amine (PubChem CID 70624849) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-propyladamantan-1-amine.

Molecular Properties

Compound Name2-propyladamantan-1-amine
PubChem CID70624849
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-propyladamantan-1-amine
SMILESCCCC1C2CC3CC(C2)CC1(N)C3
InChIInChI=1S/C13H23N/c1-2-3-12-11-5-9-4-10(6-11)8-13(12,14)7-9/h9-12H,2-8,14H2,1H3
InChIKeyZZTRNWMVCKAPEH-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-aminoadamantan-2-ol
CID 12563267
1-propyladamantan-2-amine
CID 141138737
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine
CID 175762891
1-methyl-6-propyl-3-azabicyclo[3.1.1]heptane
CID 138707050
(2S)-2-cyclohexyl-3-propyladamantan-1-amine
CID 90742257
(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine
CID 71472119
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
8-propyltetracyclo[5.1.1.01,3.03,5]nonane
CID 123869188
2,3-bis[(3-butyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;2,3-bis[(3-ethyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane;1,2-diethyladamantane;2,3-dipentylbicyclo[2.2.2]octane;2,3-dipropylbicyclo[2.2.2]octane;2-ethyl-1-[(2-ethyl-1-adamantyl)methyl]adamantane;2-ethyl-3-propylbicyclo[2.2.2]octane;2-pentyl-3-propylbicyclo[2.2.2]octane;2-propyl-3-[(3-propyl-2-bicyclo[2.2.2]octanyl)methyl]bicyclo[2.2.2]octane
CID 157353263
1,2,3-tripropyladamantan-2-amine
CID 175059310
(2-ethyl-1-adamantyl) 3-bromopropanoate
CID 91216266
CID 173183880
CID 173183880

Frequently Asked Questions

What is the IUPAC name of 2-propyladamantan-1-amine?
The IUPAC name of 2-propyladamantan-1-amine (CID 70624849) is 2-propyladamantan-1-amine.
What is the SMILES notation for 2-propyladamantan-1-amine?
The canonical SMILES for 2-propyladamantan-1-amine is CCCC1C2CC3CC(C2)CC1(N)C3.
What is the InChIKey of 2-propyladamantan-1-amine?
The InChIKey is ZZTRNWMVCKAPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-12-11-5-9-4-10(6-11)8-13(12,14)7-9/h9-12H,2-8,14H2,1H3.
What are the key properties of 2-propyladamantan-1-amine?
2-propyladamantan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyladamantan-1-amine is sourced from PubChem (CID 70624849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).