N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C13H23N3 — CID 60853394

IUPACN-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(C)Cc1ccccn1
InChIInChI=1S/C13H23N3/c1-4-12(2)14-9-10-16(3)11-13-7-5-6-8-15-13/h5-8,12,14H,4,9-11H2,1-3H3
InChIKeyISDMQRZZUIOTFR-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.90
Rot. Bonds7

About N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 60853394) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID60853394
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(C)Cc1ccccn1
InChIInChI=1S/C13H23N3/c1-4-12(2)14-9-10-16(3)11-13-7-5-6-8-15-13/h5-8,12,14H,4,9-11H2,1-3H3
InChIKeyISDMQRZZUIOTFR-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine
CID 62623524
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979
N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62561727
1-N-ethyl-1-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 103109745
1-[methyl(pyridin-2-ylmethyl)amino]pentan-2-one
CID 62043779
2-N-ethyl-1-N-methyl-1-N-(pyridin-2-ylmethyl)pentane-1,2-diamine
CID 62044465

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 60853394) is N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is CCC(C)NCCN(C)Cc1ccccn1.
What is the InChIKey of N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ISDMQRZZUIOTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-12(2)14-9-10-16(3)11-13-7-5-6-8-15-13/h5-8,12,14H,4,9-11H2,1-3H3.
What are the key properties of N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 60853394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).