2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine

C15H30N2O2 — CID 62568854

IUPAC2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC1CCCO1)C(C)CNCC1CCCO1
InChIInChI=1S/C15H30N2O2/c1-3-17(12-15-7-5-9-19-15)13(2)10-16-11-14-6-4-8-18-14/h13-16H,3-12H2,1-2H3
InChIKeyXUKSMICVLQJDQG-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.64
Rot. Bonds8

About 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine

2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine (PubChem CID 62568854) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
PubChem CID62568854
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC1CCCO1)C(C)CNCC1CCCO1
InChIInChI=1S/C15H30N2O2/c1-3-17(12-15-7-5-9-19-15)13(2)10-16-11-14-6-4-8-18-14/h13-16H,3-12H2,1-2H3
InChIKeyXUKSMICVLQJDQG-UHFFFAOYSA-N
XLogP1.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63939905
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 55087706
4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
CID 64709069
1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62428927
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55088990
2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62557461
N-ethyl-N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 113462152
1-(diethylamino)-3-(oxan-2-ylmethylamino)propan-2-ol
CID 55014004
N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 55089415
2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 62569910
2-(3-ethylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62569537

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine (CID 62568854) is 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine is CCN(CC1CCCO1)C(C)CNCC1CCCO1.
What is the InChIKey of 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is XUKSMICVLQJDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-17(12-15-7-5-9-19-15)13(2)10-16-11-14-6-4-8-18-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine?
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 270.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62568854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).