N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine

C16H28N2 — CID 107887241

IUPACN-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine
SMILESCCCC(C)C(CNC(C)(C)C)c1ccncc1
InChIInChI=1S/C16H28N2/c1-6-7-13(2)15(12-18-16(3,4)5)14-8-10-17-11-9-14/h8-11,13,15,18H,6-7,12H2,1-5H3
InChIKeyOJFVPIFGOKVSJD-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.99
Rot. Bonds6

About N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine

N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine (PubChem CID 107887241) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine
PubChem CID107887241
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine
SMILESCCCC(C)C(CNC(C)(C)C)c1ccncc1
InChIInChI=1S/C16H28N2/c1-6-7-13(2)15(12-18-16(3,4)5)14-8-10-17-11-9-14/h8-11,13,15,18H,6-7,12H2,1-5H3
InChIKeyOJFVPIFGOKVSJD-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3-chlorophenyl)-3-methylhexan-1-amine
CID 107886919
N-tert-butyl-3-methyl-2-pyridin-3-ylpentan-1-amine
CID 80522237
2-(2-bromophenyl)-N-tert-butyl-3-methylhexan-1-amine
CID 107887186
N-ethyl-2-methyl-1-pyridin-4-ylpentan-1-amine
CID 107893389
2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine
CID 107887144
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
CID 125129263
N-tert-butyl-3-methyl-2-propylhexan-1-amine
CID 107897126
1-(tert-butylamino)-3-methylhexan-2-ol
CID 62774337
N-methyl-2-pyridin-4-ylpentan-1-amine
CID 116824893

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine (CID 107887241) is N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine is CCCC(C)C(CNC(C)(C)C)c1ccncc1.
What is the InChIKey of N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine?
The InChIKey is OJFVPIFGOKVSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-7-13(2)15(12-18-16(3,4)5)14-8-10-17-11-9-14/h8-11,13,15,18H,6-7,12H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine?
N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-pyridin-4-ylhexan-1-amine is sourced from PubChem (CID 107887241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).