(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride

C18H20ClN — CID 171233295

IUPAC(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C18H19N.ClH/c1-2-3-8-18(19)14-9-10-17-15(12-14)11-13-6-4-5-7-16(13)17;/h2,4-7,9-10,12,18H,1,3,8,11,19H2;1H/t18-;/m0./s1
InChIKeyOUQDXPPTYLIOFD-FERBBOLQSA-N
MW285.82 g/mol
LogP4.65
Rot. Bonds4

About (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride

(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride (PubChem CID 171233295) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride
PubChem CID171233295
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1ccc2c(c1)Cc1ccccc1-2.Cl
InChIInChI=1S/C18H19N.ClH/c1-2-3-8-18(19)14-9-10-17-15(12-14)11-13-6-4-5-7-16(13)17;/h2,4-7,9-10,12,18H,1,3,8,11,19H2;1H/t18-;/m0./s1
InChIKeyOUQDXPPTYLIOFD-FERBBOLQSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(9H-fluoren-2-yl)butane-1,4-diamine;hydrochloride
CID 171233257
(1S)-1-(9H-fluoren-2-yl)butan-1-amine
CID 171233264
(1S)-1-(9H-fluoren-2-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171233279
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
(1S)-1-(9H-fluoren-2-yl)-3,3-difluoropropan-1-amine
CID 171313299
(1R)-1-(9H-fluoren-2-yl)-3,3,3-trifluoropropan-1-amine
CID 171213653
1-(9H-fluoren-2-yl)-2-propan-2-ylsulfanylethanamine
CID 64634231
(2S)-2-amino-2-(9H-fluoren-3-yl)ethanol
CID 66515165
(R)-cyclopropyl(9H-fluoren-2-yl)methanamine;hydrochloride
CID 171213662
2-ethylsulfinyl-1-(9H-fluoren-2-yl)ethanamine
CID 64653976
(1R)-1-(3,4-dibromophenyl)pent-4-en-1-amine;hydrochloride
CID 171215459
(1S,2R)-1-amino-1-(9H-fluoren-2-yl)propan-2-ol;hydrochloride
CID 171270728

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride (CID 171233295) is (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride is C=CCC[C@H](N)c1ccc2c(c1)Cc1ccccc1-2.Cl.
What is the InChIKey of (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride?
The InChIKey is OUQDXPPTYLIOFD-FERBBOLQSA-N. The full InChI is InChI=1S/C18H19N.ClH/c1-2-3-8-18(19)14-9-10-17-15(12-14)11-13-6-4-5-7-16(13)17;/h2,4-7,9-10,12,18H,1,3,8,11,19H2;1H/t18-;/m0./s1.
What are the key properties of (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride?
(1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(9H-fluoren-2-yl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171233295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).