4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine

C28H41NO2 — CID 152556680

IUPAC4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine
SMILESCCCCCCCCC(CCCN)C(OC)(OC)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C28H41NO2/c1-4-5-6-7-8-9-15-23(16-13-20-29)28(30-2,31-3)27-19-12-18-25-24-17-11-10-14-22(24)21-26(25)27/h10-12,14,17-19,23H,4-9,13,15-16,20-21,29H2,1-3H3
InChIKeyYOQBDTNTIGVKHS-UHFFFAOYSA-N
MW423.64 g/mol
LogP6.81
Rot. Bonds14

About 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine

4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine (PubChem CID 152556680) has the molecular formula C28H41NO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine.

Molecular Properties

Compound Name4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine
PubChem CID152556680
Molecular FormulaC28H41NO2
Molecular Weight423.64 g/mol
Exact Mass423.31
IUPAC Name4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine
SMILESCCCCCCCCC(CCCN)C(OC)(OC)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C28H41NO2/c1-4-5-6-7-8-9-15-23(16-13-20-29)28(30-2,31-3)27-19-12-18-25-24-17-11-10-14-22(24)21-26(25)27/h10-12,14,17-19,23H,4-9,13,15-16,20-21,29H2,1-3H3
InChIKeyYOQBDTNTIGVKHS-UHFFFAOYSA-N
XLogP6.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 56.81
H-Bond Donors ≤ 51
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-fluorene-1-thiol;pentan-1-amine
CID 175214866
1-prop-1-enyl-9H-fluorene;1,1,1-trimethoxy-2-(methoxymethyl)decane
CID 161289439
9H-fluorene;henicosane
CID 174789372
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
1-hexyl-9H-fluoren-2-amine
CID 57359668
1-(9H-fluoren-1-yl)hexadecan-1-one
CID 139905434
1-(3,3-diethoxydodec-1-en-4-yl)-9H-fluorene
CID 150198679
N-[9H-fluoren-1-yl(dimethyl)silyl]dodecan-2-amine
CID 87342848
9H-fluorene;hexane-1,6-diamine
CID 19108206
N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
CID 150228680
1,2-dihexyl-9H-fluorene
CID 22141601

Frequently Asked Questions

What is the IUPAC name of 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine?
The IUPAC name of 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine (CID 152556680) is 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine.
What is the SMILES notation for 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine?
The canonical SMILES for 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine is CCCCCCCCC(CCCN)C(OC)(OC)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine?
The InChIKey is YOQBDTNTIGVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO2/c1-4-5-6-7-8-9-15-23(16-13-20-29)28(30-2,31-3)27-19-12-18-25-24-17-11-10-14-22(24)21-26(25)27/h10-12,14,17-19,23H,4-9,13,15-16,20-21,29H2,1-3H3.
What are the key properties of 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine?
4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine has a molecular weight of 423.64 g/mol, XLogP of 6.81, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9H-fluoren-1-yl(dimethoxy)methyl]dodecan-1-amine is sourced from PubChem (CID 152556680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).