1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol

C16H36N2O — CID 79377983

IUPAC1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
SMILESCCC(CC)(CNCC(C)C)CN(C)CC(C)(C)O
InChIInChI=1S/C16H36N2O/c1-8-16(9-2,11-17-10-14(3)4)13-18(7)12-15(5,6)19/h14,17,19H,8-13H2,1-7H3
InChIKeyHZXOJUGLMPEEIN-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.74
Rot. Bonds10

About 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol

1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79377983) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79377983
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
SMILESCCC(CC)(CNCC(C)C)CN(C)CC(C)(C)O
InChIInChI=1S/C16H36N2O/c1-8-16(9-2,11-17-10-14(3)4)13-18(7)12-15(5,6)19/h14,17,19H,8-13H2,1-7H3
InChIKeyHZXOJUGLMPEEIN-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257932
N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056371
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494502
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol
CID 62271517
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62261307
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
N,2,2-triethyl-N'-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55056500
N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260356
2-ethyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 55220449

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol (CID 79377983) is 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol is CCC(CC)(CNCC(C)C)CN(C)CC(C)(C)O.
What is the InChIKey of 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is HZXOJUGLMPEEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-16(9-2,11-17-10-14(3)4)13-18(7)12-15(5,6)19/h14,17,19H,8-13H2,1-7H3.
What are the key properties of 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 272.48 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79377983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).