4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile

C14H27N3O — CID 63027338

IUPAC4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
SMILESCCN(CCC(C#N)NC(C)C)CC1CCCO1
InChIInChI=1S/C14H27N3O/c1-4-17(11-14-6-5-9-18-14)8-7-13(10-15)16-12(2)3/h12-14,16H,4-9,11H2,1-3H3
InChIKeyMZMUBHNOZJQZAJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds8

About 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile

4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile (PubChem CID 63027338) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
PubChem CID63027338
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
SMILESCCN(CCC(C#N)NC(C)C)CC1CCCO1
InChIInChI=1S/C14H27N3O/c1-4-17(11-14-6-5-9-18-14)8-7-13(10-15)16-12(2)3/h12-14,16H,4-9,11H2,1-3H3
InChIKeyMZMUBHNOZJQZAJ-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile
CID 63029287
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 63055508
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]propanenitrile
CID 63914205
N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile
CID 158767519
2-cyclopropyl-3-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64827702
N'-ethyl-N-(2-methoxyethyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62574226
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223
3-[ethyl-[3-(oxolan-2-yl)propyl]amino]propanenitrile
CID 65161581
1-cyclopropyl-N'-ethyl-N'-(oxolan-2-ylmethyl)-N-propylethane-1,2-diamine
CID 63914317

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile (CID 63027338) is 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile is CCN(CCC(C#N)NC(C)C)CC1CCCO1.
What is the InChIKey of 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile?
The InChIKey is MZMUBHNOZJQZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-17(11-14-6-5-9-18-14)8-7-13(10-15)16-12(2)3/h12-14,16H,4-9,11H2,1-3H3.
What are the key properties of 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile?
4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile has a molecular weight of 253.39 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63027338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).