3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol

C14H32N2O — CID 64827091

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C14H32N2O/c1-8-9-15-14(6,11-17)10-16(7)12(2)13(3,4)5/h12,15,17H,8-11H2,1-7H3
InChIKeyLCLAKSKRSSXJIS-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.10
Rot. Bonds7

About 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol

3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 64827091) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
PubChem CID64827091
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C14H32N2O/c1-8-9-15-14(6,11-17)10-16(7)12(2)13(3,4)5/h12,15,17H,8-11H2,1-7H3
InChIKeyLCLAKSKRSSXJIS-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64826895
3-[ethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64795479
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methyl-2-(propylamino)propan-1-ol
CID 103192144
2-methyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64796845
2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64826760
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
CID 62272431
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64792229
2-methyl-5-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64827986
3-[cyclopropylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64825469
2-methyl-3-propan-2-yloxy-2-(propylamino)propan-1-ol
CID 64804252

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol (CID 64827091) is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CN(C)C(C)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is LCLAKSKRSSXJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-8-9-15-14(6,11-17)10-16(7)12(2)13(3,4)5/h12,15,17H,8-11H2,1-7H3.
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol?
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64827091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).