N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine

C16H27N3 — CID 170210088

IUPACN,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine
SMILESC=C(CC(CC)(CC)CCNCC)c1cnccn1
InChIInChI=1S/C16H27N3/c1-5-16(6-2,8-9-17-7-3)12-14(4)15-13-18-10-11-19-15/h10-11,13,17H,4-9,12H2,1-3H3
InChIKeyXURMNVXESIIQNJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.69
Rot. Bonds9

About N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine

N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine (PubChem CID 170210088) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine.

Molecular Properties

Compound NameN,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine
PubChem CID170210088
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine
SMILESC=C(CC(CC)(CC)CCNCC)c1cnccn1
InChIInChI=1S/C16H27N3/c1-5-16(6-2,8-9-17-7-3)12-14(4)15-13-18-10-11-19-15/h10-11,13,17H,4-9,12H2,1-3H3
InChIKeyXURMNVXESIIQNJ-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyprop-1-en-2-yl)pyrazine
CID 67622452
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one
CID 103447153
2-(1-iodoethenyl)pyrazine
CID 122605916
ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane
CID 143067711
N-[(2-methylpropan-2-yl)oxy]-1-pyrazin-2-ylethenamine
CID 91801976
2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
CID 116603866
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
2-ethylimino-N-methyl-2-pyrazin-2-ylethanamine
CID 134358214
ethane;N-ethylpyrazin-2-amine
CID 145154365
N-(3-methylpentan-3-yl)pyrazin-2-amine
CID 106329836
N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
CID 103068567

Frequently Asked Questions

What is the IUPAC name of N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine?
The IUPAC name of N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine (CID 170210088) is N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine.
What is the SMILES notation for N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine?
The canonical SMILES for N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine is C=C(CC(CC)(CC)CCNCC)c1cnccn1.
What is the InChIKey of N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine?
The InChIKey is XURMNVXESIIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-16(6-2,8-9-17-7-3)12-14(4)15-13-18-10-11-19-15/h10-11,13,17H,4-9,12H2,1-3H3.
What are the key properties of N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine?
N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine is sourced from PubChem (CID 170210088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).