3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol

C14H30N2O2 — CID 64827111

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCN(CC1CCCO1)CC(C)(CO)NC(C)C
InChIInChI=1S/C14H30N2O2/c1-5-16(9-13-7-6-8-18-13)10-14(4,11-17)15-12(2)3/h12-13,15,17H,5-11H2,1-4H3
InChIKeyVMHDUJGYOSSJGK-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.24
Rot. Bonds8

About 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol

3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64827111) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64827111
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCCN(CC1CCCO1)CC(C)(CO)NC(C)C
InChIInChI=1S/C14H30N2O2/c1-5-16(9-13-7-6-8-18-13)10-14(4,11-17)15-12(2)3/h12-13,15,17H,5-11H2,1-4H3
InChIKeyVMHDUJGYOSSJGK-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol (CID 64827111) is 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol is CCN(CC1CCCO1)CC(C)(CO)NC(C)C.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is VMHDUJGYOSSJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-16(9-13-7-6-8-18-13)10-14(4,11-17)15-12(2)3/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64827111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).