2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine

C11H21N3 — CID 141225366

IUPAC2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine
SMILESCCCNC1(NCCC)C=CC=CN1
InChIInChI=1S/C11H21N3/c1-3-8-12-11(13-9-4-2)7-5-6-10-14-11/h5-7,10,12-14H,3-4,8-9H2,1-2H3
InChIKeyHKMFEWVYSIEBLS-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.31
Rot. Bonds6

About 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine

2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine (PubChem CID 141225366) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine.

Molecular Properties

Compound Name2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine
PubChem CID141225366
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine
SMILESCCCNC1(NCCC)C=CC=CN1
InChIInChI=1S/C11H21N3/c1-3-8-12-11(13-9-4-2)7-5-6-10-14-11/h5-7,10,12-14H,3-4,8-9H2,1-2H3
InChIKeyHKMFEWVYSIEBLS-UHFFFAOYSA-N
XLogP1.31
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 67696353
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CID 168081085
N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 173058106
3-fluoro-1-(2H-pyridin-1-yl)but-2-en-1-amine
CID 173705388
N-allylazepin-2-amine
CID 162393129
N,N-dimethyl-1,2-dihydropyridin-2-amine
CID 18974920
N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 19041019
1-(1,2-Dihydropyridin-2-yl)-4-methylpiperazine
CID 19041060
n-Ethyl-2-aminopyridine
CID 19364846
2-Ethyl-1,2,3,4-tetrahydropyrimidine
CID 19763485
2-Tert-butyl-1,2,3,4-tetrahydropyrimidine
CID 19800872

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine?
The IUPAC name of 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine (CID 141225366) is 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine.
What is the SMILES notation for 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine?
The canonical SMILES for 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine is CCCNC1(NCCC)C=CC=CN1.
What is the InChIKey of 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine?
The InChIKey is HKMFEWVYSIEBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-8-12-11(13-9-4-2)7-5-6-10-14-11/h5-7,10,12-14H,3-4,8-9H2,1-2H3.
What are the key properties of 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine?
2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-dipropyl-1H-pyridine-2,2-diamine is sourced from PubChem (CID 141225366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).