1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine

C15H30N2 — CID 114460322

IUPAC1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
SMILESCCCCC(N)CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-5-6-7-14(16)12-17-10-8-13(9-11-17)15(2,3)4/h8,14H,5-7,9-12,16H2,1-4H3
InChIKeyKAVSTVHZCLDPOY-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine

1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine (PubChem CID 114460322) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
PubChem CID114460322
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
SMILESCCCCC(N)CN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2/c1-5-6-7-14(16)12-17-10-8-13(9-11-17)15(2,3)4/h8,14H,5-7,9-12,16H2,1-4H3
InChIKeyKAVSTVHZCLDPOY-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410731
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine
CID 106313147
1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114410564
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
CID 114460413
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
4-tert-butyl-1-(2-methyl-3-propan-2-yloxypropyl)-3,6-dihydro-2H-pyridine
CID 176795543
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 114460259
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490242
1-(4-methylpiperazin-1-yl)hexan-2-amine
CID 60853142
1-butyl-3-tert-butyl-2,5-dihydropyrrole
CID 59123902
1-morpholin-4-ylhexan-2-amine
CID 60852253

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine?
The IUPAC name of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine (CID 114460322) is 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine is CCCCC(N)CN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine?
The InChIKey is KAVSTVHZCLDPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-6-7-14(16)12-17-10-8-13(9-11-17)15(2,3)4/h8,14H,5-7,9-12,16H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine?
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine is sourced from PubChem (CID 114460322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).