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

C12H26N2O — CID 79409368

IUPAC1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-10(8-13-3)11(2)14(4)9-12-6-5-7-15-12/h10-13H,5-9H2,1-4H3
InChIKeyTYTLHQLCORQEHE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.34
Rot. Bonds6

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

1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine (PubChem CID 79409368) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
PubChem CID79409368
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)CC1CCCO1
InChIInChI=1S/C12H26N2O/c1-10(8-13-3)11(2)14(4)9-12-6-5-7-15-12/h10-13H,5-9H2,1-4H3
InChIKeyTYTLHQLCORQEHE-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62435187
2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pentane-2,4-diamine
CID 64708863
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 79407615
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
ethane;N-iodo-N-methyl-1-(oxolan-2-yl)methanamine
CID 162765999
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine (CID 79409368) is 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine is CNCC(C)C(C)N(C)CC1CCCO1.
What is the InChIKey of 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine?
The InChIKey is TYTLHQLCORQEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(8-13-3)11(2)14(4)9-12-6-5-7-15-12/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine?
1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 79409368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).