N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine

C14H26N2 — CID 114460331

IUPACN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H26N2/c1-5-8-15-9-12-16-10-6-13(7-11-16)14(2,3)4/h5-6,15H,1,7-12H2,2-4H3
InChIKeyJNBUDESLSODUPS-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine

N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine (PubChem CID 114460331) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine
PubChem CID114460331
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H26N2/c1-5-8-15-9-12-16-10-6-13(7-11-16)14(2,3)4/h5-6,15H,1,7-12H2,2-4H3
InChIKeyJNBUDESLSODUPS-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
4-tert-Butyl-1,2,3,6-tetrahydropyridine
CID 21519703
p-Dimethyl-aminobenzyldiethylamine
CID 129806686
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 113588400
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4,4,4-trifluorobutan-2-amine
CID 114462066
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1,1,1-trifluoropentan-3-amine
CID 114462152
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 114462170
N,N-diethyl-2-(1,2,3,6-tetrahydropyridin-4-yl)ethanamine
CID 15289267
Methyl[2-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)ethyl]amine
CID 22451799
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
CID 57040750
4-(2,2-Dimethylpropyl)-1,2,3,6-tetrahydropyridine
CID 69179038

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine (CID 114460331) is N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine is C=CCNCCN1CC=C(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine?
The InChIKey is JNBUDESLSODUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-8-15-9-12-16-10-6-13(7-11-16)14(2,3)4/h5-6,15H,1,7-12H2,2-4H3.
What are the key properties of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine?
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 114460331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).