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

C14H28N2O — CID 63939905

IUPAC2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC1CC1)C(C)CNCC1CCCO1
InChIInChI=1S/C14H28N2O/c1-3-16(11-13-6-7-13)12(2)9-15-10-14-5-4-8-17-14/h12-15H,3-11H2,1-2H3
InChIKeyGIAMVRYPANQVNT-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds8

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

2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine (PubChem CID 63939905) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
PubChem CID63939905
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCCN(CC1CC1)C(C)CNCC1CCCO1
InChIInChI=1S/C14H28N2O/c1-3-16(11-13-6-7-13)12(2)9-15-10-14-5-4-8-17-14/h12-15H,3-11H2,1-2H3
InChIKeyGIAMVRYPANQVNT-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
N'-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 55089415
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 55087706
(2R)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pentan-1-amine
CID 28619216
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
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
2-(oxolan-3-ylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55092213
1-(diethylamino)-3-(oxan-2-ylmethylamino)propan-2-ol
CID 55014004
2-(cyclohexylmethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093361
2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 62569910

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine (CID 63939905) is 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine is CCN(CC1CC1)C(C)CNCC1CCCO1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is GIAMVRYPANQVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-16(11-13-6-7-13)12(2)9-15-10-14-5-4-8-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 63939905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).