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

C18H36N2 — CID 114460413

IUPAC6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
SMILESCCCC(CCN)CCCN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-5-7-16(9-12-19)8-6-13-20-14-10-17(11-15-20)18(2,3)4/h10,16H,5-9,11-15,19H2,1-4H3
InChIKeyRTYRRARJZLOCDR-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.21
Rot. Bonds8

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

6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine (PubChem CID 114460413) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine.

Molecular Properties

Compound Name6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
PubChem CID114460413
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
SMILESCCCC(CCN)CCCN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C18H36N2/c1-5-7-16(9-12-19)8-6-13-20-14-10-17(11-15-20)18(2,3)4/h10,16H,5-9,11-15,19H2,1-4H3
InChIKeyRTYRRARJZLOCDR-UHFFFAOYSA-N
XLogP4.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.21
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-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114460322
3-propan-2-yl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 114490200
1-butyl-3-tert-butyl-2,5-dihydropyrrole
CID 59123902
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
CID 71049116
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
CID 114460287
6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine
CID 79170128
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
6-(3,6-dihydro-2H-pyridin-1-yl)-3-ethylhexan-1-amine
CID 114410592
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine
CID 114460346
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine
CID 114460331
6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
CID 114459953
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 114460259

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine?
The IUPAC name of 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine (CID 114460413) is 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine.
What is the SMILES notation for 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine?
The canonical SMILES for 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine is CCCC(CCN)CCCN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine?
The InChIKey is RTYRRARJZLOCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-7-16(9-12-19)8-6-13-20-14-10-17(11-15-20)18(2,3)4/h10,16H,5-9,11-15,19H2,1-4H3.
What are the key properties of 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine?
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine is sourced from PubChem (CID 114460413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).