N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine

C15H26N4 — CID 107444893

IUPACN'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1cccnc1N1CCCC1
InChIInChI=1S/C15H26N4/c1-15(2,3)18-10-9-16-13-7-6-8-17-14(13)19-11-4-5-12-19/h6-8,16,18H,4-5,9-12H2,1-3H3
InChIKeyLGWRQORSDGQPAJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.48
Rot. Bonds5

About N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine

N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 107444893) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine
PubChem CID107444893
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNc1cccnc1N1CCCC1
InChIInChI=1S/C15H26N4/c1-15(2,3)18-10-9-16-13-7-6-8-17-14(13)19-11-4-5-12-19/h6-8,16,18H,4-5,9-12H2,1-3H3
InChIKeyLGWRQORSDGQPAJ-UHFFFAOYSA-N
XLogP2.48
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 60982261
2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol
CID 65338174
N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676368
N-[(5-methylfuran-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676423
2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
CID 107441431
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
N-[(1-methyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 55113792
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 66384847
N-(furan-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676420
2-pyrrolidin-1-yl-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 55060167
N-(pyrazin-2-ylmethyl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 62761986

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine (CID 107444893) is N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine is CC(C)(C)NCCNc1cccnc1N1CCCC1.
What is the InChIKey of N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is LGWRQORSDGQPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,3)18-10-9-16-13-7-6-8-17-14(13)19-11-4-5-12-19/h6-8,16,18H,4-5,9-12H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine?
N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 107444893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).