4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile

C15H28N2O2 — CID 115651726

IUPAC4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile
SMILESCC(C)(CCC#N)CNCCCOCC1CCCO1
InChIInChI=1S/C15H28N2O2/c1-15(2,7-4-8-16)13-17-9-5-10-18-12-14-6-3-11-19-14/h14,17H,3-7,9-13H2,1-2H3
InChIKeyISOVRYMGUNKCLO-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.49
Rot. Bonds10

About 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile

4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile (PubChem CID 115651726) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile
PubChem CID115651726
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile
SMILESCC(C)(CCC#N)CNCCCOCC1CCCO1
InChIInChI=1S/C15H28N2O2/c1-15(2,7-4-8-16)13-17-9-5-10-18-12-14-6-3-11-19-14/h14,17H,3-7,9-13H2,1-2H3
InChIKeyISOVRYMGUNKCLO-UHFFFAOYSA-N
XLogP2.49
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-6-(oxolan-2-ylmethoxy)hexanenitrile
CID 106710387
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79621620
4-methoxy-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pentan-2-amine
CID 43147199
tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
CID 115606970
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butan-1-amine
CID 43205736
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile (CID 115651726) is 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile is CC(C)(CCC#N)CNCCCOCC1CCCO1.
What is the InChIKey of 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile?
The InChIKey is ISOVRYMGUNKCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,7-4-8-16)13-17-9-5-10-18-12-14-6-3-11-19-14/h14,17H,3-7,9-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile?
4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile has a molecular weight of 268.40 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile is sourced from PubChem (CID 115651726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).