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

C12H26N2O — CID 43205527

IUPAC2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CNCC1CCOC1)N(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)12(14(3)4)8-13-7-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3
InChIKeyNCYTXJNXEIPKFM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.20
Rot. Bonds6

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

2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine (PubChem CID 43205527) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
PubChem CID43205527
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CNCC1CCOC1)N(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)12(14(3)4)8-13-7-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3
InChIKeyNCYTXJNXEIPKFM-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43208014
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887779
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
CID 103897090
3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
methyl 2-bromo-3-(oxolan-3-ylmethylamino)propanoate
CID 103242537

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine (CID 43205527) is 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine is CC(C)C(CNCC1CCOC1)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine?
The InChIKey is NCYTXJNXEIPKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(14(3)4)8-13-7-11-5-6-15-9-11/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 43205527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).