N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine

C36H38N2 — CID 160620740

IUPACN-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine
SMILESCC(c1cc2c(cc1N)Cc1ccccc1-2)C1CC1.c1ccc2c(c1)Cc1cc(NC3CCCC3)ccc1-2
InChIInChI=1S/2C18H19N/c1-11(12-6-7-12)16-10-17-14(9-18(16)19)8-13-4-2-3-5-15(13)17;1-4-8-17-13(5-1)11-14-12-16(9-10-18(14)17)19-15-6-2-3-7-15/h2-5,9-12H,6-8,19H2,1H3;1,4-5,8-10,12,15,19H,2-3,6-7,11H2
InChIKeyRGQZTIMQZHUVJO-UHFFFAOYSA-N
MW498.71 g/mol
LogP8.97
Rot. Bonds4

About N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine

N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine (PubChem CID 160620740) has the molecular formula C36H38N2 and a molecular weight of 498.71 g/mol. Its IUPAC name is N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine
PubChem CID160620740
Molecular FormulaC36H38N2
Molecular Weight498.71 g/mol
Exact Mass498.30
IUPAC NameN-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine
SMILESCC(c1cc2c(cc1N)Cc1ccccc1-2)C1CC1.c1ccc2c(c1)Cc1cc(NC3CCCC3)ccc1-2
InChIInChI=1S/2C18H19N/c1-11(12-6-7-12)16-10-17-14(9-18(16)19)8-13-4-2-3-5-15(13)17;1-4-8-17-13(5-1)11-14-12-16(9-10-18(14)17)19-15-6-2-3-7-15/h2-5,9-12H,6-8,19H2,1H3;1,4-5,8-10,12,15,19H,2-3,6-7,11H2
InChIKeyRGQZTIMQZHUVJO-UHFFFAOYSA-N
XLogP8.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 58.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-(9H-fluoren-2-yl)cyclopentane-1,3-diamine
CID 79461943
2-(9H-fluoren-2-ylamino)cyclohexan-1-ol
CID 60885260
trans-(1R,2R)-2-(9H-fluoren-2-ylamino)cyclopentan-1-ol
CID 102732957
N-(9H-fluoren-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81469099
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
N-cyclopentyl-9H-fluorene-2-carboxamide
CID 39896867
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
N-pentan-3-yl-9H-fluoren-2-amine
CID 28555753
6-(cyclopropylamino)-N-(9H-fluoren-2-yl)pyridine-3-carboxamide
CID 60563532
(S)-cyclobutyl(9H-fluoren-2-yl)methanamine;hydrochloride
CID 171233283
(2S)-1-(9H-fluoren-2-ylamino)propan-2-ol
CID 106931773
N-(cyclobutylmethyl)-9H-fluoren-2-amine
CID 65458719

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine?
The IUPAC name of N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine (CID 160620740) is N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine.
What is the SMILES notation for N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine?
The canonical SMILES for N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine is CC(c1cc2c(cc1N)Cc1ccccc1-2)C1CC1.c1ccc2c(c1)Cc1cc(NC3CCCC3)ccc1-2.
What is the InChIKey of N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine?
The InChIKey is RGQZTIMQZHUVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19N/c1-11(12-6-7-12)16-10-17-14(9-18(16)19)8-13-4-2-3-5-15(13)17;1-4-8-17-13(5-1)11-14-12-16(9-10-18(14)17)19-15-6-2-3-7-15/h2-5,9-12H,6-8,19H2,1H3;1,4-5,8-10,12,15,19H,2-3,6-7,11H2.
What are the key properties of N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine?
N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine has a molecular weight of 498.71 g/mol, XLogP of 8.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9H-fluoren-2-amine;3-(1-cyclopropylethyl)-9H-fluoren-2-amine is sourced from PubChem (CID 160620740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).