1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine

C12H26N2O — CID 61431541

IUPAC1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCN(CC1CCCO1)CC(N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-12(2,3)11(13)9-14(4)8-10-6-5-7-15-10/h10-11H,5-9,13H2,1-4H3
InChIKeyOMBDZRPIEFETIG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds4

About 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine

1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine (PubChem CID 61431541) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
PubChem CID61431541
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCN(CC1CCCO1)CC(N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-12(2,3)11(13)9-14(4)8-10-6-5-7-15-10/h10-11H,5-9,13H2,1-4H3
InChIKeyOMBDZRPIEFETIG-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
2-(bromomethyl)-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 65015785
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
N',2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61431602
1-N,3,3-trimethyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63727678
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
1-N-methyl-1-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61435818
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
1-N,2,2,3-tetramethyl-1-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 65267291
2-cyclopropyl-1-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61435769
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933

Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine (CID 61431541) is 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine is CN(CC1CCCO1)CC(N)C(C)(C)C.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The InChIKey is OMBDZRPIEFETIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)11(13)9-14(4)8-10-6-5-7-15-10/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 61431541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).