1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine

C11H24N2O — CID 120857063

IUPAC1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
SMILESCN(CCC1CCCO1)CC(C)(C)N
InChIInChI=1S/C11H24N2O/c1-11(2,12)9-13(3)7-6-10-5-4-8-14-10/h10H,4-9,12H2,1-3H3
InChIKeyBJIIKNGHHOPTAY-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds5

About 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine

1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine (PubChem CID 120857063) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
PubChem CID120857063
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
SMILESCN(CCC1CCCO1)CC(C)(C)N
InChIInChI=1S/C11H24N2O/c1-11(2,12)9-13(3)7-6-10-5-4-8-14-10/h10H,4-9,12H2,1-3H3
InChIKeyBJIIKNGHHOPTAY-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
N-methyl-N-[2-(oxolan-2-yl)ethyl]-2-piperidin-4-ylethanamine
CID 66272160
2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine
CID 65158469
5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine
CID 107205020
2-cyclopropyl-1-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61435769
ethane;N,2,2-trimethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 156714058
N'-hydroxy-2-methyl-3-[methyl-[2-(oxolan-2-yl)ethyl]amino]propanimidamide
CID 77057994
N-(2-chloroethyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
1-N,2,2,3-tetramethyl-1-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 65267291
2-methyl-1-[2-(oxolan-2-yl)ethylsulfinyl]propan-2-amine
CID 81188308
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115136320

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine (CID 120857063) is 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine is CN(CCC1CCCO1)CC(C)(C)N.
What is the InChIKey of 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine?
The InChIKey is BJIIKNGHHOPTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,12)9-13(3)7-6-10-5-4-8-14-10/h10H,4-9,12H2,1-3H3.
What are the key properties of 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine?
1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 120857063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).