9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate

C21H26N2O2 — CID 66869994

IUPAC9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
SMILESCCCCCC(N)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-2-3-4-13-20(22)23-21(24)25-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,2-4,13-14,22H2,1H3,(H,23,24)
InChIKeyDDQFTQLIZLDGFU-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.39
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate

9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate (PubChem CID 66869994) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
PubChem CID66869994
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
SMILESCCCCCC(N)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-2-3-4-13-20(22)23-21(24)25-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,2-4,13-14,22H2,1H3,(H,23,24)
InChIKeyDDQFTQLIZLDGFU-UHFFFAOYSA-N
XLogP4.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
9H-fluoren-9-ylmethyl N-[1-(octadecylamino)-1-oxopropan-2-yl]carbamate
CID 102097431
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
CID 163288654
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid;tetramethylazanium;chloride
CID 131676595
prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 138502561

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate (CID 66869994) is 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate is CCCCCC(N)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate?
The InChIKey is DDQFTQLIZLDGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-3-4-13-20(22)23-21(24)25-14-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,2-4,13-14,22H2,1H3,(H,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate?
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate has a molecular weight of 338.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate is sourced from PubChem (CID 66869994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).