2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol

C18H38N2O — CID 58903021

IUPAC2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol
SMILESCC(C)(C)NCC(CO)(CC1CCCCC1)NC(C)(C)C
InChIInChI=1S/C18H38N2O/c1-16(2,3)19-13-18(14-21,20-17(4,5)6)12-15-10-8-7-9-11-15/h15,19-21H,7-14H2,1-6H3
InChIKeyAPFNZTDPSOHZST-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.46
Rot. Bonds6

About 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol

2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol (PubChem CID 58903021) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol.

Molecular Properties

Compound Name2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol
PubChem CID58903021
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol
SMILESCC(C)(C)NCC(CO)(CC1CCCCC1)NC(C)(C)C
InChIInChI=1S/C18H38N2O/c1-16(2,3)19-13-18(14-21,20-17(4,5)6)12-15-10-8-7-9-11-15/h15,19-21H,7-14H2,1-6H3
InChIKeyAPFNZTDPSOHZST-UHFFFAOYSA-N
XLogP3.46
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol?
The IUPAC name of 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol (CID 58903021) is 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol.
What is the SMILES notation for 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol?
The canonical SMILES for 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol is CC(C)(C)NCC(CO)(CC1CCCCC1)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol?
The InChIKey is APFNZTDPSOHZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-16(2,3)19-13-18(14-21,20-17(4,5)6)12-15-10-8-7-9-11-15/h15,19-21H,7-14H2,1-6H3.
What are the key properties of 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol?
2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol has a molecular weight of 298.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-[(tert-butylamino)methyl]-3-cyclohexylpropan-1-ol is sourced from PubChem (CID 58903021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).