cyclododecanamine;2,3-dihydro-1H-inden-1-amine

C21H36N2 — CID 157151284

IUPACcyclododecanamine;2,3-dihydro-1H-inden-1-amine
SMILESNC1CCCCCCCCCCC1.NC1CCc2ccccc21
InChIInChI=1S/C12H25N.C9H11N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;10-9-6-5-7-3-1-2-4-8(7)9/h12H,1-11,13H2;1-4,9H,5-6,10H2
InChIKeyALGYDHQTRXSOMP-UHFFFAOYSA-N
MW316.53 g/mol
LogP5.25
Rot. Bonds

About cyclododecanamine;2,3-dihydro-1H-inden-1-amine

cyclododecanamine;2,3-dihydro-1H-inden-1-amine (PubChem CID 157151284) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is cyclododecanamine;2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Namecyclododecanamine;2,3-dihydro-1H-inden-1-amine
PubChem CID157151284
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Namecyclododecanamine;2,3-dihydro-1H-inden-1-amine
SMILESNC1CCCCCCCCCCC1.NC1CCc2ccccc21
InChIInChI=1S/C12H25N.C9H11N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;10-9-6-5-7-3-1-2-4-8(7)9/h12H,1-11,13H2;1-4,9H,5-6,10H2
InChIKeyALGYDHQTRXSOMP-UHFFFAOYSA-N
XLogP5.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570832
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
1,2-dichlorobenzene;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 142874609
(1R)-2,3-dihydro-1H-inden-1-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]methanesulfonamide;methanesulfonyl chloride
CID 157196656
cyclohexanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339125
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
2-cyclopentyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65405512

Frequently Asked Questions

What is the IUPAC name of cyclododecanamine;2,3-dihydro-1H-inden-1-amine?
The IUPAC name of cyclododecanamine;2,3-dihydro-1H-inden-1-amine (CID 157151284) is cyclododecanamine;2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for cyclododecanamine;2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for cyclododecanamine;2,3-dihydro-1H-inden-1-amine is NC1CCCCCCCCCCC1.NC1CCc2ccccc21.
What is the InChIKey of cyclododecanamine;2,3-dihydro-1H-inden-1-amine?
The InChIKey is ALGYDHQTRXSOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C9H11N/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;10-9-6-5-7-3-1-2-4-8(7)9/h12H,1-11,13H2;1-4,9H,5-6,10H2.
What are the key properties of cyclododecanamine;2,3-dihydro-1H-inden-1-amine?
cyclododecanamine;2,3-dihydro-1H-inden-1-amine has a molecular weight of 316.53 g/mol, XLogP of 5.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecanamine;2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 157151284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).