1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine

C16H29N3 — CID 142949866

IUPAC1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine
SMILESCCCN(CCC)C1=CC=C(N=C(C)C)C(C)N1C
InChIInChI=1S/C16H29N3/c1-7-11-19(12-8-2)16-10-9-15(17-13(3)4)14(5)18(16)6/h9-10,14H,7-8,11-12H2,1-6H3
InChIKeyOVOVDNMXKGMQMI-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.65
Rot. Bonds6

About 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine

1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine (PubChem CID 142949866) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine.

Molecular Properties

Compound Name1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine
PubChem CID142949866
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine
SMILESCCCN(CCC)C1=CC=C(N=C(C)C)C(C)N1C
InChIInChI=1S/C16H29N3/c1-7-11-19(12-8-2)16-10-9-15(17-13(3)4)14(5)18(16)6/h9-10,14H,7-8,11-12H2,1-6H3
InChIKeyOVOVDNMXKGMQMI-UHFFFAOYSA-N
XLogP3.65
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-methyl-3-[2-(methylideneamino)penta-2,4-dienyl]-2H-imidazol-1-yl]pent-3-en-2-imine
CID 123455975
4,6-dimethyl-1,3-di(propan-2-yl)-2H-pyrimidin-3-ium
CID 167354801
(Z,3E)-N-[1-(2,2-dimethylpropyl)-3-ethyl-6-methyl-2-methylidene-4-propylidenepyrimidin-5-yl]-3-ethylidenehex-4-en-2-imine
CID 145540416
propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide
CID 177442783

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine?
The IUPAC name of 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine (CID 142949866) is 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine.
What is the SMILES notation for 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine?
The canonical SMILES for 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine is CCCN(CCC)C1=CC=C(N=C(C)C)C(C)N1C.
What is the InChIKey of 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine?
The InChIKey is OVOVDNMXKGMQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-11-19(12-8-2)16-10-9-15(17-13(3)4)14(5)18(16)6/h9-10,14H,7-8,11-12H2,1-6H3.
What are the key properties of 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine?
1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine has a molecular weight of 263.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(propan-2-ylideneamino)-N,N-dipropyl-2H-pyridin-6-amine is sourced from PubChem (CID 142949866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).