(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine

C16H26N2 — CID 81311201

IUPAC(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
SMILESCc1ccc(/C=C(\CNC(C)(C)C)C(C)C)nc1
InChIInChI=1S/C16H26N2/c1-12(2)14(11-18-16(4,5)6)9-15-8-7-13(3)10-17-15/h7-10,12,18H,11H2,1-6H3/b14-9+
InChIKeyPWCKSIGPZQPJOW-NTEUORMPSA-N
MW246.40 g/mol
LogP3.82
Rot. Bonds4

About (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine

(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine (PubChem CID 81311201) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
PubChem CID81311201
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
SMILESCc1ccc(/C=C(\CNC(C)(C)C)C(C)C)nc1
InChIInChI=1S/C16H26N2/c1-12(2)14(11-18-16(4,5)6)9-15-8-7-13(3)10-17-15/h7-10,12,18H,11H2,1-6H3/b14-9+
InChIKeyPWCKSIGPZQPJOW-NTEUORMPSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine?
The IUPAC name of (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine (CID 81311201) is (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine.
What is the SMILES notation for (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine?
The canonical SMILES for (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine is Cc1ccc(/C=C(\CNC(C)(C)C)C(C)C)nc1.
What is the InChIKey of (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine?
The InChIKey is PWCKSIGPZQPJOW-NTEUORMPSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14(11-18-16(4,5)6)9-15-8-7-13(3)10-17-15/h7-10,12,18H,11H2,1-6H3/b14-9+.
What are the key properties of (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine?
(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine is sourced from PubChem (CID 81311201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).