N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine

C11H20N2 — CID 142338628

IUPACN-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
SMILESC/N=C/C1=C(C)CCN(C(C)C)C1
InChIInChI=1S/C11H20N2/c1-9(2)13-6-5-10(3)11(8-13)7-12-4/h7,9H,5-6,8H2,1-4H3/b12-7+
InChIKeyIPUMMUQVFQAYCM-KPKJPENVSA-N
MW180.29 g/mol
LogP2.12
Rot. Bonds2

About N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine

N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine (PubChem CID 142338628) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
PubChem CID142338628
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
SMILESC/N=C/C1=C(C)CCN(C(C)C)C1
InChIInChI=1S/C11H20N2/c1-9(2)13-6-5-10(3)11(8-13)7-12-4/h7,9H,5-6,8H2,1-4H3/b12-7+
InChIKeyIPUMMUQVFQAYCM-KPKJPENVSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58315252
3,4-Dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium
CID 59357084
5-Methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 59559172
3-Methyl-5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 131997923
2-methyl-3,4,7,8-tetrahydro-1H-2,6-naphthyridine
CID 134312808
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine
CID 139458500
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane
CID 142050102
(Z)-N,N,3-trimethyl-2-(methyliminomethyl)pent-2-en-1-amine
CID 142050923
ethane;N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine
CID 142338627
5,6-diethyl-1-propan-2-yl-2H-pyrimidine
CID 143925685
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-(3-methylbut-1-en-2-yl)methanimine
CID 145587891
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 157079316

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The IUPAC name of N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine (CID 142338628) is N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine.
What is the SMILES notation for N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The canonical SMILES for N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine is C/N=C/C1=C(C)CCN(C(C)C)C1.
What is the InChIKey of N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
The InChIKey is IPUMMUQVFQAYCM-KPKJPENVSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)13-6-5-10(3)11(8-13)7-12-4/h7,9H,5-6,8H2,1-4H3/b12-7+.
What are the key properties of N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine?
N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine has a molecular weight of 180.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methanimine is sourced from PubChem (CID 142338628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).