N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine

C14H31N3 — CID 79314054

IUPACN-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCN1CCCC1CN(C)CCNC(C)(C)C
InChIInChI=1S/C14H31N3/c1-6-17-10-7-8-13(17)12-16(5)11-9-15-14(2,3)4/h13,15H,6-12H2,1-5H3
InChIKeyMXUPCKRRXZDVED-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds6

About N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine

N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 79314054) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID79314054
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCCN1CCCC1CN(C)CCNC(C)(C)C
InChIInChI=1S/C14H31N3/c1-6-17-10-7-8-13(17)12-16(5)11-9-15-14(2,3)4/h13,15H,6-12H2,1-5H3
InChIKeyMXUPCKRRXZDVED-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
CID 79312282
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 79318789

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine (CID 79314054) is N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine is CCN1CCCC1CN(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is MXUPCKRRXZDVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-17-10-7-8-13(17)12-16(5)11-9-15-14(2,3)4/h13,15H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79314054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).