4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C16H36N2O2 — CID 64827562

IUPAC4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(C)N(CCOC)C(C)CC(C)(CO)NC(C)C
InChIInChI=1S/C16H36N2O2/c1-8-14(4)18(9-10-20-7)15(5)11-16(6,12-19)17-13(2)3/h13-15,17,19H,8-12H2,1-7H3
InChIKeyMZXLMXUNQGACNN-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.26
Rot. Bonds11

About 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64827562) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64827562
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(C)N(CCOC)C(C)CC(C)(CO)NC(C)C
InChIInChI=1S/C16H36N2O2/c1-8-14(4)18(9-10-20-7)15(5)11-16(6,12-19)17-13(2)3/h13-15,17,19H,8-12H2,1-7H3
InChIKeyMZXLMXUNQGACNN-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828150
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710876
4-[ethyl(2-methoxyethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64826351
4-[bis(2-methoxyethyl)amino]-2-(ethylamino)-2-methylpentan-1-ol
CID 64826984
4-[ethyl(propyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798523
4-methoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64804081
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798809
6-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64826309
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64802828
2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64795544
6-(3-methoxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807379

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64827562) is 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CCC(C)N(CCOC)C(C)CC(C)(CO)NC(C)C.
What is the InChIKey of 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is MZXLMXUNQGACNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-8-14(4)18(9-10-20-7)15(5)11-16(6,12-19)17-13(2)3/h13-15,17,19H,8-12H2,1-7H3.
What are the key properties of 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 288.48 g/mol, XLogP of 2.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64827562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).