3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine

C28H35N — CID 123256289

IUPAC3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine
SMILESCCCCc1ccc2c3c(ccc2c1)C(C)(C)c1cc(C(N)(CC)CC)ccc1-3
InChIInChI=1S/C28H35N/c1-6-9-10-19-11-14-22-20(17-19)12-16-24-26(22)23-15-13-21(28(29,7-2)8-3)18-25(23)27(24,4)5/h11-18H,6-10,29H2,1-5H3
InChIKeyKNOCXQCYMMXDRG-UHFFFAOYSA-N
MW385.60 g/mol
LogP7.46
Rot. Bonds6

About 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine

3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine (PubChem CID 123256289) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine
PubChem CID123256289
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC Name3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine
SMILESCCCCc1ccc2c3c(ccc2c1)C(C)(C)c1cc(C(N)(CC)CC)ccc1-3
InChIInChI=1S/C28H35N/c1-6-9-10-19-11-14-22-20(17-19)12-16-24-26(22)23-15-13-21(28(29,7-2)8-3)18-25(23)27(24,4)5/h11-18H,6-10,29H2,1-5H3
InChIKeyKNOCXQCYMMXDRG-UHFFFAOYSA-N
XLogP7.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-butyl-7,7-dimethylnaphtho[2,1-b][1]benzosilol-9-yl)pentan-3-amine
CID 123395999
3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134294416
7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277897
7,19-dibutyl-12,24-dithiahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14(23),15,17(22),18,20-undecaene
CID 102525552
2,6-dibutyl-4,4-dimethylindeno[1,2-b]thiophene
CID 58202987
25,25-dimethylhexacyclo[12.11.0.03,12.04,9.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742057
2-butyl-7-[2-(3,5-difluorophenyl)ethynyl]phenanthrene
CID 139883756
3-[4-[7-(6-butyl-1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]phenyl]pentan-3-amine
CID 143584898
9,23-didecyl-16-thiaheptacyclo[15.12.0.02,15.05,14.06,11.018,27.021,26]nonacosa-1(17),2(15),3,5(14),6(11),7,9,12,18(27),19,21(26),22,24,28-tetradecaene
CID 158576615
2-butyl-6-propylnaphthalene
CID 58232616
2-(2,6-dibutylanthracen-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 146439591
6-butylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 158149604

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine?
The IUPAC name of 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine (CID 123256289) is 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine.
What is the SMILES notation for 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine?
The canonical SMILES for 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine is CCCCc1ccc2c3c(ccc2c1)C(C)(C)c1cc(C(N)(CC)CC)ccc1-3.
What is the InChIKey of 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine?
The InChIKey is KNOCXQCYMMXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N/c1-6-9-10-19-11-14-22-20(17-19)12-16-24-26(22)23-15-13-21(28(29,7-2)8-3)18-25(23)27(24,4)5/h11-18H,6-10,29H2,1-5H3.
What are the key properties of 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine?
3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine has a molecular weight of 385.60 g/mol, XLogP of 7.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine is sourced from PubChem (CID 123256289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).