N-pent-3-ynyl-9H-fluoren-2-amine

C18H17N — CID 104805976

IUPACN-pent-3-ynyl-9H-fluoren-2-amine
SMILESCC#CCCNc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H17N/c1-2-3-6-11-19-16-9-10-18-15(13-16)12-14-7-4-5-8-17(14)18/h4-5,7-10,13,19H,6,11-12H2,1H3
InChIKeyQOBKTTHUAQADCF-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.08
Rot. Bonds3

About N-pent-3-ynyl-9H-fluoren-2-amine

N-pent-3-ynyl-9H-fluoren-2-amine (PubChem CID 104805976) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is N-pent-3-ynyl-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-pent-3-ynyl-9H-fluoren-2-amine
PubChem CID104805976
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC NameN-pent-3-ynyl-9H-fluoren-2-amine
SMILESCC#CCCNc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C18H17N/c1-2-3-6-11-19-16-9-10-18-15(13-16)12-14-7-4-5-8-17(14)18/h4-5,7-10,13,19H,6,11-12H2,1H3
InChIKeyQOBKTTHUAQADCF-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylbutyl)-9H-fluoren-2-amine
CID 103087166
N-(3-ethoxypropyl)-9H-fluoren-2-amine
CID 65176692
(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol
CID 106931773
N'-(9H-fluoren-2-yl)-N-[[3-[[4-(9H-fluoren-2-ylamino)butylamino]methyl]phenyl]methyl]butane-1,4-diamine
CID 170909075
N-pentan-3-yl-9H-fluoren-2-amine
CID 28555753
N-(cyclopentylmethyl)-9H-fluoren-2-amine
CID 63419501
N-(cyclobutylmethyl)-9H-fluoren-2-amine
CID 65458719
2-(9H-fluoren-2-ylamino)-N-propylacetamide
CID 28574289
N-(3-methoxy-2-methylpropyl)-9H-fluoren-2-amine
CID 116500708
N-[(2,3,4-trifluorophenyl)methyl]-9H-fluoren-2-amine
CID 22664064
N-pent-3-ynyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 104744129
N-(1H-pyrrol-2-ylmethyl)-9H-fluoren-2-amine
CID 62327002

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynyl-9H-fluoren-2-amine?
The IUPAC name of N-pent-3-ynyl-9H-fluoren-2-amine (CID 104805976) is N-pent-3-ynyl-9H-fluoren-2-amine.
What is the SMILES notation for N-pent-3-ynyl-9H-fluoren-2-amine?
The canonical SMILES for N-pent-3-ynyl-9H-fluoren-2-amine is CC#CCCNc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of N-pent-3-ynyl-9H-fluoren-2-amine?
The InChIKey is QOBKTTHUAQADCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-2-3-6-11-19-16-9-10-18-15(13-16)12-14-7-4-5-8-17(14)18/h4-5,7-10,13,19H,6,11-12H2,1H3.
What are the key properties of N-pent-3-ynyl-9H-fluoren-2-amine?
N-pent-3-ynyl-9H-fluoren-2-amine has a molecular weight of 247.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynyl-9H-fluoren-2-amine is sourced from PubChem (CID 104805976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).