1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine

C14H30N2O — CID 55098815

IUPAC1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine
SMILESCCN(CCC(N)C(C)(C)C)CC1CCCO1
InChIInChI=1S/C14H30N2O/c1-5-16(11-12-7-6-10-17-12)9-8-13(15)14(2,3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyNWWFURNFNMWQLM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds6

About 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine

1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine (PubChem CID 55098815) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine
PubChem CID55098815
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine
SMILESCCN(CCC(N)C(C)(C)C)CC1CCCO1
InChIInChI=1S/C14H30N2O/c1-5-16(11-12-7-6-10-17-12)9-8-13(15)14(2,3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyNWWFURNFNMWQLM-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4,4-Dimethyloxolan-2-yl)methyl](methyl)amine
CID 176466950
1-fluoro-3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 83819644
3,3-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 21027153
(4-Methylpentan-2-yl)[(oxolan-2-yl)methyl]amine
CID 43196280
2,2-dimethyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 62679361
[5-(Methoxymethyl)-1-methylpyrrolidin-3-yl]methanamine
CID 67345815
N'-methyl-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
CID 82837502
1-(2-methylpropyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 103775787
2,2-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 115426953
(2S)-2-[1-(4,4-dimethylpentoxy)ethyl]pyrrolidine
CID 117932377
(2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine
CID 126634816
[(3R,5S)-5-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanamine
CID 137447266

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine?
The IUPAC name of 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine (CID 55098815) is 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine is CCN(CCC(N)C(C)(C)C)CC1CCCO1.
What is the InChIKey of 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine?
The InChIKey is NWWFURNFNMWQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-16(11-12-7-6-10-17-12)9-8-13(15)14(2,3)4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine?
1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4,4-dimethyl-1-N-(oxolan-2-ylmethyl)pentane-1,3-diamine is sourced from PubChem (CID 55098815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).