2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine

C13H21N — CID 168854266

IUPAC2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine
SMILESCC(C)C12C3CC4CC1(N)CC2(C4)C3
InChIInChI=1S/C13H21N/c1-8(2)13-10-3-9-4-11(13,6-10)7-12(13,14)5-9/h8-10H,3-7,14H2,1-2H3
InChIKeyQCTIIQUIRFKLDO-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.55
Rot. Bonds1

About 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine

2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine (PubChem CID 168854266) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine.

Molecular Properties

Compound Name2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine
PubChem CID168854266
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine
SMILESCC(C)C12C3CC4CC1(N)CC2(C4)C3
InChIInChI=1S/C13H21N/c1-8(2)13-10-3-9-4-11(13,6-10)7-12(13,14)5-9/h8-10H,3-7,14H2,1-2H3
InChIKeyQCTIIQUIRFKLDO-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,7S)-3-[(5S,7S)-3-amino-1-adamantyl]adamantan-1-amine
CID 56845538
tricyclo[3.3.1.03,7]nonane-3,7-diamine
CID 10855666
(2S,7S)-2-cyclohexyl-2-methyladamantan-1-amine
CID 69371168
1-[(Z)-prop-1-enyl]-3-[3-[(Z)-prop-1-enyl]-1-adamantyl]adamantane
CID 173113583
1-(3-amino-1-adamantyl)ethanethiol
CID 175972280
2-pentan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 107898475
3-(3-hydroxy-1-adamantyl)adamantan-1-ol
CID 14984938
2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 12648920
1,3-bis(3-ethyl-1-adamantyl)adamantane
CID 58695293
2-[3-[3-(1-carboxybutyl)-1-adamantyl]-1-adamantyl]pentanoic acid
CID 22660518
1-(1-adamantyl)-2-methylcyclopropan-1-amine
CID 79332665
spiro[adamantane-2,2'-imidazolidine]-1-amine
CID 91498453

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine?
The IUPAC name of 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine (CID 168854266) is 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine.
What is the SMILES notation for 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine?
The canonical SMILES for 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine is CC(C)C12C3CC4CC1(N)CC2(C4)C3.
What is the InChIKey of 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine?
The InChIKey is QCTIIQUIRFKLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-8(2)13-10-3-9-4-11(13,6-10)7-12(13,14)5-9/h8-10H,3-7,14H2,1-2H3.
What are the key properties of 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine?
2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine has a molecular weight of 191.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yltetracyclo[3.3.1.11,3.02,7]decan-3-amine is sourced from PubChem (CID 168854266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).