9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate

C27H38N2O2 — CID 139208955

IUPAC9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
SMILESNCCCCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H38N2O2/c28-19-13-7-5-3-1-2-4-6-8-14-20-29-27(30)31-21-26-24-17-11-9-15-22(24)23-16-10-12-18-25(23)26/h9-12,15-18,26H,1-8,13-14,19-21,28H2,(H,29,30)
InChIKeyTYTYBYVCBVTTQQ-UHFFFAOYSA-N
MW422.61 g/mol
LogP6.38
Rot. Bonds14

About 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate

9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate (PubChem CID 139208955) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
PubChem CID139208955
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
SMILESNCCCCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H38N2O2/c28-19-13-7-5-3-1-2-4-6-8-14-20-29-27(30)31-21-26-24-17-11-9-15-22(24)23-16-10-12-18-25(23)26/h9-12,15-18,26H,1-8,13-14,19-21,28H2,(H,29,30)
InChIKeyTYTYBYVCBVTTQQ-UHFFFAOYSA-N
XLogP6.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
9H-fluoren-9-ylmethyl N-[3-(3-aminopropoxy)propyl]carbamate
CID 142240422
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
CID 176788717
9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate;hydrochloride
CID 2756222
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154803547
9H-fluoren-9-ylmethyl N-(8-amino-3,6-dioxooctyl)carbamate
CID 70700200
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butylamino]acetic acid;hydrochloride
CID 134830437
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
CID 11648094

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate (CID 139208955) is 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate is NCCCCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate?
The InChIKey is TYTYBYVCBVTTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c28-19-13-7-5-3-1-2-4-6-8-14-20-29-27(30)31-21-26-24-17-11-9-15-22(24)23-16-10-12-18-25(23)26/h9-12,15-18,26H,1-8,13-14,19-21,28H2,(H,29,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate?
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate has a molecular weight of 422.61 g/mol, XLogP of 6.38, 14 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-(12-aminododecyl)carbamate is sourced from PubChem (CID 139208955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).