N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine

C14H29N3 — CID 103070927

IUPACN-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNCC)CN(C)CC1CCCN1CC
InChIInChI=1S/C14H29N3/c1-5-15-10-13(3)11-16(4)12-14-8-7-9-17(14)6-2/h14-15H,3,5-12H2,1-2,4H3
InChIKeyFKUJFZLBXUSTAS-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.57
Rot. Bonds8

About N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine

N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine (PubChem CID 103070927) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
PubChem CID103070927
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNCC)CN(C)CC1CCCN1CC
InChIInChI=1S/C14H29N3/c1-5-15-10-13(3)11-16(4)12-14-8-7-9-17(14)6-2/h14-15H,3,5-12H2,1-2,4H3
InChIKeyFKUJFZLBXUSTAS-UHFFFAOYSA-N
XLogP1.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 79312573
N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 103070924
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 79319274
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
N-ethyl-N'-methyl-2-methylidene-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 103068902
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
CID 79317833
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine (CID 103070927) is N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine is C=C(CNCC)CN(C)CC1CCCN1CC.
What is the InChIKey of N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
The InChIKey is FKUJFZLBXUSTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-15-10-13(3)11-16(4)12-14-8-7-9-17(14)6-2/h14-15H,3,5-12H2,1-2,4H3.
What are the key properties of N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine?
N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103070927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).