2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine

C15H30N2 — CID 114460425

IUPAC2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-6-15(5,11-16)12-17-9-7-13(8-10-17)14(2,3)4/h7H,6,8-12,16H2,1-5H3
InChIKeyCRBYUMRQCFYTKE-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.04
Rot. Bonds4

About 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine

2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine (PubChem CID 114460425) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine
PubChem CID114460425
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-6-15(5,11-16)12-17-9-7-13(8-10-17)14(2,3)4/h7H,6,8-12,16H2,1-5H3
InChIKeyCRBYUMRQCFYTKE-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 75437864
4-Tert-butyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 71757335
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
4-tert-Butyl-1,2,3,6-tetrahydropyridine
CID 21519703
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
2-fluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 105435260
2,2-dimethyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 106708249
4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
CID 107473680
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 113588647
4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-3-amine
CID 113591679
2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114489702

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine (CID 114460425) is 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine is CCC(C)(CN)CN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is CRBYUMRQCFYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-15(5,11-16)12-17-9-7-13(8-10-17)14(2,3)4/h7H,6,8-12,16H2,1-5H3.
What are the key properties of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine?
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 114460425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).