3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine

C14H30N2O — CID 43208014

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CNCC1CCOC1)N(C)C
InChIInChI=1S/C14H30N2O/c1-5-13(6-2)14(16(3)4)10-15-9-12-7-8-17-11-12/h12-15H,5-11H2,1-4H3
InChIKeyNQFWRPLTCPQSDG-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds8

About 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine (PubChem CID 43208014) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
PubChem CID43208014
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CNCC1CCOC1)N(C)C
InChIInChI=1S/C14H30N2O/c1-5-13(6-2)14(16(3)4)10-15-9-12-7-8-17-11-12/h12-15H,5-11H2,1-4H3
InChIKeyNQFWRPLTCPQSDG-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 79548553
2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887779
N-(oxolan-3-ylmethyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115887265
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine (CID 43208014) is 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine is CCC(CC)C(CNCC1CCOC1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine?
The InChIKey is NQFWRPLTCPQSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-13(6-2)14(16(3)4)10-15-9-12-7-8-17-11-12/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 43208014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).