(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine

C16H26N2 — CID 81311351

IUPAC(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
SMILESCc1ccc(/C=C(/CNCC(C)C)C(C)C)nc1
InChIInChI=1S/C16H26N2/c1-12(2)9-17-11-15(13(3)4)8-16-7-6-14(5)10-18-16/h6-8,10,12-13,17H,9,11H2,1-5H3/b15-8-
InChIKeyGIPNFPMVINKCCE-NVNXTCNLSA-N
MW246.40 g/mol
LogP3.68
Rot. Bonds6

About (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine

(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine (PubChem CID 81311351) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
PubChem CID81311351
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
SMILESCc1ccc(/C=C(/CNCC(C)C)C(C)C)nc1
InChIInChI=1S/C16H26N2/c1-12(2)9-17-11-15(13(3)4)8-16-7-6-14(5)10-18-16/h6-8,10,12-13,17H,9,11H2,1-5H3/b15-8-
InChIKeyGIPNFPMVINKCCE-NVNXTCNLSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 81313344
(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
CID 81311201
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine
CID 103093164
(2Z)-2-[(5-methyl-2-pyridinyl)methylidene]butanal
CID 81312596
2-[(3-fluoro-4-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339839
2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
2-[(Z)-3-chloro-2-methylprop-1-enyl]-5-methylpyridine
CID 81311753
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654
2-[(4-bromothiophen-2-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339297
2-[2-[3-methyl-2-[(2-methylpropylamino)methyl]but-1-enyl]phenoxy]acetonitrile
CID 79342683
(2E)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 112671587

Frequently Asked Questions

What is the IUPAC name of (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine?
The IUPAC name of (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine (CID 81311351) is (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine.
What is the SMILES notation for (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine?
The canonical SMILES for (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine is Cc1ccc(/C=C(/CNCC(C)C)C(C)C)nc1.
What is the InChIKey of (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine?
The InChIKey is GIPNFPMVINKCCE-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)9-17-11-15(13(3)4)8-16-7-6-14(5)10-18-16/h6-8,10,12-13,17H,9,11H2,1-5H3/b15-8-.
What are the key properties of (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine?
(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine is sourced from PubChem (CID 81311351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).