(2S)-2-cyclohexyl-3-propyladamantan-1-amine

C19H33N — CID 90742257

IUPAC(2S)-2-cyclohexyl-3-propyladamantan-1-amine
SMILESCCCC12CC3CC(CC(N)(C3)[C@H]1C1CCCCC1)C2
InChIInChI=1S/C19H33N/c1-2-8-18-10-14-9-15(11-18)13-19(20,12-14)17(18)16-6-4-3-5-7-16/h14-17H,2-13,20H2,1H3/t14?,15?,17-,18?,19?/m0/s1
InChIKeyIECIGHIXTIGRBC-QHGXNGAMSA-N
MW275.48 g/mol
LogP4.89
Rot. Bonds3

About (2S)-2-cyclohexyl-3-propyladamantan-1-amine

(2S)-2-cyclohexyl-3-propyladamantan-1-amine (PubChem CID 90742257) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-3-propyladamantan-1-amine.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-3-propyladamantan-1-amine
PubChem CID90742257
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(2S)-2-cyclohexyl-3-propyladamantan-1-amine
SMILESCCCC12CC3CC(CC(N)(C3)[C@H]1C1CCCCC1)C2
InChIInChI=1S/C19H33N/c1-2-8-18-10-14-9-15(11-18)13-19(20,12-14)17(18)16-6-4-3-5-7-16/h14-17H,2-13,20H2,1H3/t14?,15?,17-,18?,19?/m0/s1
InChIKeyIECIGHIXTIGRBC-QHGXNGAMSA-N
XLogP4.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-propyladamantan-2-amine
CID 141138737
1,2,3-tripropyladamantan-2-amine
CID 175059310
2-propyladamantan-1-amine
CID 70624849
1-butyl-2-cyclohexylcyclohexan-1-amine
CID 55187524
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane
CID 173329798
CID 173183880
CID 173183880
2-tert-butyl-1-propylbicyclo[2.2.1]heptane
CID 140891046
1-butyl-1-cycloheptylcycloheptane
CID 140610618
2-(1-ethylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 173085788
2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119
bicyclo[2.2.1]heptane;cyclohexane;ethanamine
CID 159865221

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-3-propyladamantan-1-amine?
The IUPAC name of (2S)-2-cyclohexyl-3-propyladamantan-1-amine (CID 90742257) is (2S)-2-cyclohexyl-3-propyladamantan-1-amine.
What is the SMILES notation for (2S)-2-cyclohexyl-3-propyladamantan-1-amine?
The canonical SMILES for (2S)-2-cyclohexyl-3-propyladamantan-1-amine is CCCC12CC3CC(CC(N)(C3)[C@H]1C1CCCCC1)C2.
What is the InChIKey of (2S)-2-cyclohexyl-3-propyladamantan-1-amine?
The InChIKey is IECIGHIXTIGRBC-QHGXNGAMSA-N. The full InChI is InChI=1S/C19H33N/c1-2-8-18-10-14-9-15(11-18)13-19(20,12-14)17(18)16-6-4-3-5-7-16/h14-17H,2-13,20H2,1H3/t14?,15?,17-,18?,19?/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-3-propyladamantan-1-amine?
(2S)-2-cyclohexyl-3-propyladamantan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-3-propyladamantan-1-amine is sourced from PubChem (CID 90742257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).