9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate

C21H25N3O3 — CID 58794934

IUPAC9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate
SMILESNCCCCCC(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25N3O3/c22-13-7-1-2-12-20(25)23-24-21(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14,22H2,(H,23,25)(H,24,26)
InChIKeyDPHKCFUEGGQPPR-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.08
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate

9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate (PubChem CID 58794934) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate
PubChem CID58794934
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate
SMILESNCCCCCC(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H25N3O3/c22-13-7-1-2-12-20(25)23-24-21(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14,22H2,(H,23,25)(H,24,26)
InChIKeyDPHKCFUEGGQPPR-UHFFFAOYSA-N
XLogP3.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl N-[(2R)-6-amino-1-oxohexan-2-yl]carbamate
CID 124582995
methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200
10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
CID 141018797
(2S)-12-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)dodecanoic acid
CID 97114140

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate (CID 58794934) is 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate is NCCCCCC(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate?
The InChIKey is DPHKCFUEGGQPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-13-7-1-2-12-20(25)23-24-21(26)27-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14,22H2,(H,23,25)(H,24,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate?
9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate has a molecular weight of 367.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(6-aminohexanoylamino)carbamate is sourced from PubChem (CID 58794934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).