1,2,3-tripropyladamantan-2-amine

C19H35N — CID 175059310

IUPAC1,2,3-tripropyladamantan-2-amine
SMILESCCCC12CC3CC(C1)CC(CCC)(C3)C2(N)CCC
InChIInChI=1S/C19H35N/c1-4-7-17-11-15-10-16(12-17)14-18(13-15,8-5-2)19(17,20)9-6-3/h15-16H,4-14,20H2,1-3H3
InChIKeyVPDYFHGSPMJVPU-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.28
Rot. Bonds6

About 1,2,3-tripropyladamantan-2-amine

1,2,3-tripropyladamantan-2-amine (PubChem CID 175059310) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1,2,3-tripropyladamantan-2-amine.

Molecular Properties

Compound Name1,2,3-tripropyladamantan-2-amine
PubChem CID175059310
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1,2,3-tripropyladamantan-2-amine
SMILESCCCC12CC3CC(C1)CC(CCC)(C3)C2(N)CCC
InChIInChI=1S/C19H35N/c1-4-7-17-11-15-10-16(12-17)14-18(13-15,8-5-2)19(17,20)9-6-3/h15-16H,4-14,20H2,1-3H3
InChIKeyVPDYFHGSPMJVPU-UHFFFAOYSA-N
XLogP5.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-cyclohexyl-3-propyladamantan-1-amine
CID 90742257
(5S,7R)-3-propyladamantan-1-ol
CID 1225075
1-propyladamantan-2-amine
CID 141138737
1-[(Z)-prop-1-enyl]-3-propyladamantane
CID 21160735
tricyclo[3.3.1.03,7]nonane-3,7-diamine
CID 10855666
3,3-diethylbicyclo[3.1.1]heptane
CID 140814680
butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane
CID 157129502
2-propyladamantan-1-amine
CID 70624849
1-butyl-3-(3-butyl-1-adamantyl)adamantane
CID 90876469
[7-(hydroxymethyl)-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]methanol
CID 139437917
1-hexyladamantane
CID 585171
N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115893902

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tripropyladamantan-2-amine?
The IUPAC name of 1,2,3-tripropyladamantan-2-amine (CID 175059310) is 1,2,3-tripropyladamantan-2-amine.
What is the SMILES notation for 1,2,3-tripropyladamantan-2-amine?
The canonical SMILES for 1,2,3-tripropyladamantan-2-amine is CCCC12CC3CC(C1)CC(CCC)(C3)C2(N)CCC.
What is the InChIKey of 1,2,3-tripropyladamantan-2-amine?
The InChIKey is VPDYFHGSPMJVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-4-7-17-11-15-10-16(12-17)14-18(13-15,8-5-2)19(17,20)9-6-3/h15-16H,4-14,20H2,1-3H3.
What are the key properties of 1,2,3-tripropyladamantan-2-amine?
1,2,3-tripropyladamantan-2-amine has a molecular weight of 277.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tripropyladamantan-2-amine is sourced from PubChem (CID 175059310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).