1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol

C22H48N2O2 — CID 166937991

IUPAC1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol
SMILESCC(C)(C)C[C@@H](O)CNC(C)(C)CCC(C)(C)CC(O)CNC(C)(C)C
InChIInChI=1S/C22H48N2O2/c1-19(2,3)13-17(25)16-24-22(9,10)12-11-21(7,8)14-18(26)15-23-20(4,5)6/h17-18,23-26H,11-16H2,1-10H3/t17-,18?/m1/s1
InChIKeyFIMMUBGPSXIJJM-QNSVNVJESA-N
MW372.64 g/mol
LogP4.10
Rot. Bonds11

About 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol

1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol (PubChem CID 166937991) has the molecular formula C22H48N2O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol
PubChem CID166937991
Molecular FormulaC22H48N2O2
Molecular Weight372.64 g/mol
Exact Mass372.37
IUPAC Name1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol
SMILESCC(C)(C)C[C@@H](O)CNC(C)(C)CCC(C)(C)CC(O)CNC(C)(C)C
InChIInChI=1S/C22H48N2O2/c1-19(2,3)13-17(25)16-24-22(9,10)12-11-21(7,8)14-18(26)15-23-20(4,5)6/h17-18,23-26H,11-16H2,1-10H3/t17-,18?/m1/s1
InChIKeyFIMMUBGPSXIJJM-QNSVNVJESA-N
XLogP4.10
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol with MolForge

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Related Compounds

(3S,5S)-2-methyl-2-(methylamino)octadecane-3,5-diol
CID 70694369
3,7,11-Trimethyl-1-(methylamino)dodecan-2-ol
CID 13933174
1-(2-Hydroxyethylamino)-12-methylhenicosane-2,12-diol
CID 19694610
2-Dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
CID 19798932
1,3-Bis(6-aminohexylamino)-4,4,5-trimethylnonan-2-ol
CID 20033948
1-Tert-butylamino-2-hexadecanol
CID 21271308
N,N'-(1,6-hexylene)-bis[2-hydroxynonylamine]
CID 21332345
1,6-Hexylene-bis[2-hydroxyundecylamine]
CID 21332347
N,N'-(1,5-pentylene)-bis[2-hydroxyundecylamine]
CID 21332363
N,N'-(1,6-hexylene)-bis[2-hydroxydecylamine]
CID 21332371
N,N'-(2-methyl-1,4-butylene)-bis[2-hydroxyundecylamine]
CID 21332374
N,N'-(1,6-hexylene)-bis[2-hydroxyoctylamine]
CID 21332375

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol?
The IUPAC name of 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol (CID 166937991) is 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol is CC(C)(C)C[C@@H](O)CNC(C)(C)CCC(C)(C)CC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol?
The InChIKey is FIMMUBGPSXIJJM-QNSVNVJESA-N. The full InChI is InChI=1S/C22H48N2O2/c1-19(2,3)13-17(25)16-24-22(9,10)12-11-21(7,8)14-18(26)15-23-20(4,5)6/h17-18,23-26H,11-16H2,1-10H3/t17-,18?/m1/s1.
What are the key properties of 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol?
1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol has a molecular weight of 372.64 g/mol, XLogP of 4.10, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-7-[[(2R)-2-hydroxy-4,4-dimethylpentyl]amino]-4,4,7-trimethyloctan-2-ol is sourced from PubChem (CID 166937991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).