1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol

C10H22N2O2 — CID 64820238

IUPAC1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
SMILESCN(CCC(O)CN)CC1CCCO1
InChIInChI=1S/C10H22N2O2/c1-12(5-4-9(13)7-11)8-10-3-2-6-14-10/h9-10,13H,2-8,11H2,1H3
InChIKeyJJJQBKVAACQNLR-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.19
Rot. Bonds6

About 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol

1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol (PubChem CID 64820238) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
PubChem CID64820238
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
SMILESCN(CCC(O)CN)CC1CCCO1
InChIInChI=1S/C10H22N2O2/c1-12(5-4-9(13)7-11)8-10-3-2-6-14-10/h9-10,13H,2-8,11H2,1H3
InChIKeyJJJQBKVAACQNLR-UHFFFAOYSA-N
XLogP-0.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[methyl(oxolan-2-ylmethyl)amino]butanamide
CID 63054294
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64825351
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
1-(4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 55099454
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
3-[methyl(oxan-2-ylmethyl)amino]-1-phenylpropan-1-ol
CID 62613757
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
1-(4-fluorophenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62642970
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol?
The IUPAC name of 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol (CID 64820238) is 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol is CN(CCC(O)CN)CC1CCCO1.
What is the InChIKey of 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol?
The InChIKey is JJJQBKVAACQNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-12(5-4-9(13)7-11)8-10-3-2-6-14-10/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol?
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol has a molecular weight of 202.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 64820238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).